valdecoxib [Ligand Id: 2894] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL865 (Bextra, NSC-759846, SC-65872, Valdecoxib, Valdyn)
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  • Alpha carbonic anhydrase in Stylophora pistillata [ChEMBL: CHEMBL1075028] [UniProtKB: B5SU02]
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  • Carbonate dehydratase in Sulfurihydrogenibium sp. (strain YO3AOP1) [ChEMBL: CHEMBL3745586] [UniProtKB: B2V8E3]
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  • Carbonic anhydrase in Mycobacterium tuberculosis [ChEMBL: CHEMBL6068] [UniProtKB: P9WPJ9]
  • Carbonic anhydrase in Methanosarcina thermophila [ChEMBL: CHEMBL3932] [UniProtKB: P40881]
  • Carbonic anhydrase in Stylophora pistillata [ChEMBL: CHEMBL1649055] [UniProtKB: C0IX24]
  • Carbonic anhydrase in Methanobacterium thermoautotrophicum [ChEMBL: CHEMBL3926] [UniProtKB: Q50565]
  • Carbonic anhydrase in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) [ChEMBL: CHEMBL5337] [UniProtKB: Q5AJ71]
  • Carbonic anhydrase in Candida glabrata CBS 138 [ChEMBL: CHEMBL6185] [UniProtKB: Q6FTL6]
  • Carbonic anhydrase in Saccharomyces cerevisiae S288c [ChEMBL: CHEMBL5931] [UniProtKB: P53615]
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  • Carbonic anhydrase 2 in Cryptococcus neoformans var. grubii [ChEMBL: CHEMBL1697676] [UniProtKB: Q3I4V7]
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  • Carbonic anhydrase, alpha family in Thiomicrospira crunogena (strain XCL-2) [ChEMBL: CHEMBL3621035] [UniProtKB: Q31FD6]
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
  • Carbonic anhydrase IV in Bovine [ChEMBL: CHEMBL281] [UniProtKB: Q95323]
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • carbonic anhydrase 5A/Carbonic anhydrase VA in Human [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • carbonic anhydrase 13/Carbonic anhydrase XIII in Human [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1]
  • carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1]
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  • carbonic anhydrase 14/Carbonic anhydrase XIV in Human [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
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  • Cytochrome c oxidase subunit 1 in Sheep [ChEMBL: CHEMBL6011] [UniProtKB: O78749]
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  • Cytochrome c oxidase subunit 2 in Human [ChEMBL: CHEMBL6174] [UniProtKB: P00403]
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  • Delta carbonic anhydrase in Thalassiosira weissflogii [ChEMBL: CHEMBL3097982] [UniProtKB: Q5U9J1]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) in Mycobacterium tuberculosis [ChEMBL: CHEMBL5767] [UniProtKB: P96878]
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  • Uncharacterized protein Rv1284/MT1322 in Mycobacterium tuberculosis [ChEMBL: CHEMBL5631] [UniProtKB: P9WPJ7]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
AGAP002992-PA in Anopheles gambiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3399914] [UniProtKB: Q5TU56]
ChEMBL Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay B 6.79 pKi 164 nM Ki Bioorg Med Chem (2015) 23: 2303-2309 [PMID:25882523]
Alpha carbonic anhydrase in Stylophora pistillata (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075028] [UniProtKB: B5SU02]
ChEMBL Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay B 7.54 pKi 28.7 nM Ki Bioorg Med Chem (2009) 17: 5054-5058 [PMID:19520577]
ChEMBL Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay B 7.54 pKi 28.7 nM Ki Bioorg Med Chem Lett (2011) 21: 710-714 [PMID:21208801]
Astrosclerin-3 in Astrosclera willeyana (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1944499] [UniProtKB: A6YCJ1]
ChEMBL Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay B 6.29 pKi 517 nM Ki Bioorg Med Chem (2012) 20: 1403-1410 [PMID:22285172]
Carbonate dehydratase in Sulfurihydrogenibium sp. (strain YO3AOP1) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3745586] [UniProtKB: B2V8E3]
ChEMBL Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay B 8.28 pKi 5.3 nM Ki Bioorg Med Chem Lett (2016) 26: 401-405 [PMID:26691758]
Carbonic anhydrase in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6068] [UniProtKB: P9WPJ9]
ChEMBL Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay B 6.17 pKi 682 nM Ki Bioorg Med Chem Lett (2009) 19: 6649-6654 [PMID:19846301]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3588c pre-incubated for 15 mins by stopped-flow CO2 hydration method B 6.17 pKi 682 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
Carbonic anhydrase in Methanosarcina thermophila (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3932] [UniProtKB: P40881]
ChEMBL Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila B 6.62 pKi 240 nM Ki Bioorg Med Chem Lett (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila B 6.89 pKi 130 nM Ki Bioorg Med Chem Lett (2004) 14: 6001-6006 [PMID:15546717]
Carbonic anhydrase in Stylophora pistillata (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1649055] [UniProtKB: C0IX24]
ChEMBL Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay B 5.24 pKi 5710 nM Ki Bioorg Med Chem Lett (2011) 21: 710-714 [PMID:21208801]
Carbonic anhydrase in Methanobacterium thermoautotrophicum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3926] [UniProtKB: Q50565]
ChEMBL Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum B 4.21 pKi 61000 nM Ki Bioorg Med Chem Lett (2004) 14: 6001-6006 [PMID:15546717]
Carbonic anhydrase in Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5337] [UniProtKB: Q5AJ71]
ChEMBL Inhibition of Candida albicans recombinant Nce103 by stopped-flow CO2 hydration assay B 6.16 pKi 699 nM Ki Bioorg Med Chem (2009) 17: 4503-4509 [PMID:19450983]
ChEMBL Inhibition of Candida albicans CaNce103 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method B 6.16 pKi 699 nM Ki J Med Chem (2012) 55: 3513-3520 [PMID:22424239]
Carbonic anhydrase in Candida glabrata CBS 138 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6185] [UniProtKB: Q6FTL6]
ChEMBL Inhibition of recombinant full length Candida glabrata NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 7.01 pKi 97 nM Ki Bioorg Med Chem Lett (2013) 23: 2647-2652 [PMID:23511020]
Carbonic anhydrase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5931] [UniProtKB: P53615]
ChEMBL Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay B 6.18 pKi 654 nM Ki Bioorg Med Chem (2009) 17: 1158-1163 [PMID:19124253]
Carbonic anhydrase 15 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5973] [UniProtKB: Q99N23]
ChEMBL Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay B 7.18 pKi 66 nM Ki J Med Chem (2009) 52: 646-654 [PMID:19193158]
Carbonic anhydrase 2 in Cryptococcus neoformans var. grubii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1697676] [UniProtKB: Q3I4V7]
ChEMBL Inhibition of Cryptococcus neoformans Can2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method B 6.15 pKi 704 nM Ki J Med Chem (2012) 55: 3513-3520 [PMID:22424239]
Carbonic anhydrase, alpha family in Thiomicrospira crunogena (strain XCL-2) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3621035] [UniProtKB: Q31FD6]
ChEMBL Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay B 6.28 pKi 529 nM Ki Bioorg Med Chem Lett (2016) 26: 401-405 [PMID:26691758]
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
ChEMBL Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2016) 26: 4184-4190 [PMID:27485387]
ChEMBL Inhibitory activity against human carbonic anhydrase I (hCAI) B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2005) 15: 1149-1154 [PMID:15686931]
ChEMBL Inhibitory activity against human carbonic anhydrase I at 0.09 uM B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against cloned human CA1 B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method B 4.27 pKi 54000 nM Ki J Med Chem (2009) 52: 2226-2232 [PMID:19317447]
ChEMBL Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2009) 17: 1158-1163 [PMID:19124253]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki J Med Chem (2009) 52: 646-654 [PMID:19193158]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki J Med Chem (2009) 52: 3116-3120 [PMID:19338333]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase method B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2009) 17: 4503-4509 [PMID:19450983]
ChEMBL Inhibition of human recombinant CA1 by stopped-flow CO2 assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2009) 17: 5054-5058 [PMID:19520577]
ChEMBL Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2011) 21: 710-714 [PMID:21208801]
ChEMBL Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5 B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2011) 19: 1172-1178 [PMID:21251841]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2011) 19: 5023-5030 [PMID:21757360]
ChEMBL Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration activity by stopped flow assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2011) 21: 5892-5896 [PMID:21852133]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2012) 20: 1403-1410 [PMID:22285172]
ChEMBL Inhibition of human recombinant full length CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 4.27 pKi 54000 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki J Med Chem (2012) 55: 10742-10748 [PMID:23181552]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki J Med Chem (2013) 56: 1761-1771 [PMID:23391336]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2013) 21: 1534-1538 [PMID:22883029]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2013) 21: 5168-5174 [PMID:23867389]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2013) 21: 5973-5982 [PMID:23965175]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2014) 22: 1586-1595 [PMID:24513184]
ChEMBL Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2014) 22: 2939-2946 [PMID:24792813]
ChEMBL Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2014) 22: 4537-4543 [PMID:25129169]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2015) 23: 526-531 [PMID:25533402]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2015) 23: 1728-1734 [PMID:25773015]
ChEMBL Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2015) 23: 2303-2309 [PMID:25882523]
ChEMBL Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2015) 25: 5485-5489 [PMID:26525863]
ChEMBL Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2016) 26: 401-405 [PMID:26691758]
ChEMBL Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem (2016) 24: 1115-1120 [PMID:26850377]
ChEMBL Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2016) 26: 1821-1826 [PMID:26920803]
ChEMBL Inhibitory activity against human carbonic anhydrase I (hCA I) by using esterase assay method B 4.27 pKi 54000 nM Ki Bioorg Med Chem Lett (2004) 14: 3757-3762 [PMID:15203157]
ChEMBL Inhibition of human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay B 4.3 pKi >50000 nM Ki Bioorg Med Chem (2017) 25: 3555-3561 [PMID:28511911]
ChEMBL Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis B 4.3 pKi >50000 nM Ki Bioorg Med Chem Lett (2017) 27: 490-495 [PMID:28025002]
ChEMBL Inhibitory activity against human carbonic anhydrase I was determined B 4.27 pIC50 54000 nM IC50 J Med Chem (2004) 47: 550-557 [PMID:14736236]
ChEMBL Inhibitory activity of compound against human carbonic anhydrase I F 4.27 pIC50 54000 nM IC50 Bioorg Med Chem Lett (2004) 14: 337-341 [PMID:14698154]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibitory activity against human carbonic anhydrase II at 0.01 uM B 4.37 pKi 43000 nM Ki Bioorg Med Chem Lett (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against human carbonic anhydrase II (hCAII) B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2005) 15: 1149-1154 [PMID:15686931]
ChEMBL Inhibitory activity against cloned human CA2 B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method B 7.37 pKi 43 nM Ki J Med Chem (2009) 52: 2226-2232 [PMID:19317447]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2009) 17: 1158-1163 [PMID:19124253]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay B 7.37 pKi 43 nM Ki J Med Chem (2009) 52: 646-654 [PMID:19193158]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki J Med Chem (2009) 52: 3116-3120 [PMID:19338333]
ChEMBL Inhibition of Helicobacter pylori beta-carbonic anhydrase by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2009) 17: 4503-4509 [PMID:19450983]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow CO2 assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2009) 17: 5054-5058 [PMID:19520577]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2009) 19: 6649-6654 [PMID:19846301]
ChEMBL Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2011) 21: 710-714 [PMID:21208801]
ChEMBL Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5 B 7.37 pKi 43 nM Ki Bioorg Med Chem (2011) 19: 1172-1178 [PMID:21251841]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2011) 19: 5023-5030 [PMID:21757360]
ChEMBL Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration activity by stopped flow assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2011) 21: 5892-5896 [PMID:21852133]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2012) 20: 1403-1410 [PMID:22285172]
ChEMBL Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method B 7.37 pKi 43 nM Ki J Med Chem (2012) 55: 3513-3520 [PMID:22424239]
ChEMBL Inhibition of human recombinant full length CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 7.37 pKi 43 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 7.37 pKi 43 nM Ki J Med Chem (2012) 55: 10742-10748 [PMID:23181552]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki J Med Chem (2013) 56: 1761-1771 [PMID:23391336]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2013) 21: 1534-1538 [PMID:22883029]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2013) 21: 5168-5174 [PMID:23867389]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2013) 21: 5973-5982 [PMID:23965175]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2014) 24: 275-279 [PMID:24314394]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2014) 22: 1586-1595 [PMID:24513184]
ChEMBL Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2014) 22: 2939-2946 [PMID:24792813]
ChEMBL Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method B 7.37 pKi 43 nM Ki Bioorg Med Chem (2014) 22: 4537-4543 [PMID:25129169]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2015) 23: 526-531 [PMID:25533402]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2015) 23: 1728-1734 [PMID:25773015]
ChEMBL Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2015) 23: 2303-2309 [PMID:25882523]
ChEMBL Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2015) 25: 3550-3555 [PMID:26174556]
ChEMBL Inhibition of human CA2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2015) 25: 5485-5489 [PMID:26525863]
ChEMBL Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2016) 26: 401-405 [PMID:26691758]
ChEMBL Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2016) 24: 1115-1120 [PMID:26850377]
ChEMBL Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2016) 26: 1253-1259 [PMID:26832216]
ChEMBL Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2016) 26: 1821-1826 [PMID:26920803]
ChEMBL Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 sec by Line-Weaver Burk plot analysis B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2017) 27: 490-495 [PMID:28025002]
ChEMBL Inhibition of human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to 100 secs by stopped-flow assay B 7.37 pKi 43 nM Ki Bioorg Med Chem (2017) 25: 3555-3561 [PMID:28511911]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stop flow CO2 hydrase assay B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2016) 26: 4184-4190 [PMID:27485387]
ChEMBL Inhibitory activity against human carbonic anhydrase II (hCA II) by using esterase assay method B 7.37 pKi 43 nM Ki Bioorg Med Chem Lett (2004) 14: 3757-3762 [PMID:15203157]
ChEMBL Binding affinity to human recombinant CA2 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay B 7.37 pKi 43 nM Ki Eur J Med Chem (2021) 209: 112923-112923 [PMID:33121862]
ChEMBL DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) B 5.34 pIC50 4574 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Inhibitory activity against human carbonic anhydrase II was determined B 7.37 pIC50 43 nM IC50 J Med Chem (2004) 47: 550-557 [PMID:14736236]
ChEMBL Inhibitory activity of compound against human carbonic anhydrase II F 7.37 pIC50 43 nM IC50 Bioorg Med Chem Lett (2004) 14: 337-341 [PMID:14698154]
Carbonic anhydrase III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451]
ChEMBL Inhibition of human recombinant full length CA3 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 4.11 pKi 78000 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
ChEMBL Inhibitory activity against human carbonic anhydrase IV (hCAIV) B 5.87 pKi 1340 nM Ki Bioorg Med Chem Lett (2005) 15: 1149-1154 [PMID:15686931]
ChEMBL Inhibition of human recombinant full length CA4 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 5.87 pKi 1340 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Binding affinity to human recombinant CA4 assessed as inhibition constant incubated for 15 mins prior to testing by phenol red based stopped-flow CO2 hydration assay B 6.47 pKi 340 nM Ki Eur J Med Chem (2021) 209: 112923-112923 [PMID:33121862]
Carbonic anhydrase IV in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL281] [UniProtKB: Q95323]
ChEMBL Inhibitory activity against bovine carbonic anhydrase IV (bCAIV) B 6.47 pKi 340 nM Ki Bioorg Med Chem Lett (2005) 15: 1149-1154 [PMID:15686931]
ChEMBL Inhibitory activity against CA4 isolated from bovine lung microsomes B 6.47 pKi 340 nM Ki Bioorg Med Chem Lett (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibitory activity against bovine carbonic anhydrase IV was determined B 6.47 pIC50 340 nM IC50 J Med Chem (2004) 47: 550-557 [PMID:14736236]
ChEMBL Inhibitory activity of compound against bovine carbonic anhydrase IV F 6.47 pIC50 340 nM IC50 Bioorg Med Chem Lett (2004) 14: 337-341 [PMID:14698154]
carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
ChEMBL Inhibitory activity against human carbonic anhydrase IX at 0.09 uM B 4.57 pKi 27000 nM Ki Bioorg Med Chem Lett (2004) 14: 6001-6006 [PMID:15546717]
ChEMBL Inhibitory activity against cloned human CA9 B 7.57 pKi 27 nM Ki Bioorg Med Chem Lett (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydrase assay B 7.57 pKi 27 nM Ki J Med Chem (2009) 52: 646-654 [PMID:19193158]
ChEMBL Inhibition of human carbonic anhydrase 9-catalyzed CO2 hydration activity by stopped flow assay B 7.57 pKi 27 nM Ki Bioorg Med Chem Lett (2011) 21: 5892-5896 [PMID:21852133]
ChEMBL Inhibition of human recombinant CA9 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method B 7.57 pKi 27 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Inhibition of human membrane bound carbonic anhydrase 9 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay B 7.57 pKi 27 nM Ki Bioorg Med Chem (2013) 21: 5973-5982 [PMID:23965175]
ChEMBL Inhibitory activity against human carbonic anhydrase IX (hCA IX) by using CO2 hydrase assay method B 7.57 pKi 27 nM Ki Bioorg Med Chem Lett (2004) 14: 3757-3762 [PMID:15203157]
ChEMBL Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay B 7.57 pKi 27 nM Ki Bioorg Med Chem (2014) 22: 1586-1595 [PMID:24513184]
ChEMBL Inhibitory activity against human carbonic anhydrase IX was determined B 7.57 pIC50 27 nM IC50 J Med Chem (2004) 47: 550-557 [PMID:14736236]
carbonic anhydrase 5A/Carbonic anhydrase VA in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
ChEMBL Inhibition of human recombinant full length CA5A pre-incubated for 15 mins by stopped-flow CO2 hydration method B 6.04 pKi 912 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
Carbonic anhydrase VB in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0]
ChEMBL Inhibition of human recombinant full length CA5B pre-incubated for 15 mins by stopped-flow CO2 hydration method B 7.06 pKi 88 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
Carbonic anhydrase VI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280]
ChEMBL Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay B 6.24 pKi 572 nM Ki J Med Chem (2009) 52: 646-654 [PMID:19193158]
ChEMBL Inhibition of human recombinant full length CA6 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 6.24 pKi 572 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
ChEMBL Inhibition of human recombinant full length CA7 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 5.41 pKi 3900 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay B 5.41 pKi 3900 nM Ki Bioorg Med Chem (2013) 21: 5168-5174 [PMID:23867389]
ChEMBL Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay B 5.41 pKi 3900 nM Ki Bioorg Med Chem (2013) 21: 5973-5982 [PMID:23965175]
ChEMBL Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay B 5.41 pKi 3900 nM Ki Eur J Med Chem (2014) 71: 105-111 [PMID:24287559]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibitory activity against cloned human CA12 B 7.89 pKi 13 nM Ki Bioorg Med Chem Lett (2006) 16: 437-442 [PMID:16290146]
ChEMBL Inhibition of human carbonic anhydrase 12-catalyzed CO2 hydration activity by stopped flow assay B 7.89 pKi 13 nM Ki Bioorg Med Chem Lett (2011) 21: 5892-5896 [PMID:21852133]
ChEMBL Inhibition of human recombinant CA12 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method B 7.89 pKi 13 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
ChEMBL Inhibition of human membrane bound carbonic anhydrase 12 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay B 7.89 pKi 13 nM Ki Bioorg Med Chem (2013) 21: 5973-5982 [PMID:23965175]
ChEMBL Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay B 7.89 pKi 13 nM Ki Bioorg Med Chem (2014) 22: 1586-1595 [PMID:24513184]
GtoPdb - - 7.89 pKi 13 nM Ki Bioorg Med Chem (2013) 21: 5973-82 [PMID:23965175]
carbonic anhydrase 13/Carbonic anhydrase XIII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3912] [GtoPdb: 2748] [UniProtKB: Q8N1Q1]
ChEMBL Inhibition of human recombinant CA13 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method B 6.37 pKi 425 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1]
ChEMBL Inhibitory activity against murine carbonic anhydrase XIII (mCA XIII) by using CO2 hydrase assay method B 6.37 pKi 425 nM Ki Bioorg Med Chem Lett (2004) 14: 3757-3762 [PMID:15203157]
carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
ChEMBL Inhibition of human recombinant CA14 catalytic domain pre-incubated for 15 mins by stopped-flow CO2 hydration method B 6.97 pKi 107 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Inhibition of human cyclooxygenase-1 expressed in COS cells B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2004) 14: 5445-5448 [PMID:15454242]
ChEMBL Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 treated 1 hr before arachidonic acid challenge by enzyme immunoassay B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2009) 19: 4504-4508 [PMID:19520573]
ChEMBL Inhibition of COX1 in LPS-induced human whole blood assessed as PGE2 production B 4.46 pIC50 34300 nM IC50 J Med Chem (2008) 51: 4476-4481 [PMID:18598017]
ChEMBL In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole blood assay B 4.57 pIC50 27000 nM IC50 J Med Chem (2004) 47: 4881-4890 [PMID:15369392]
COX-2 /Cyclooxygenase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354]
ChEMBL Inhibition of COX2 in human whole blood assessed as effect on thrombin-induced TXB2 production B 6.18 pIC50 660 nM IC50 J Med Chem (2008) 51: 4476-4481 [PMID:18598017]
ChEMBL In vitro inhibitory concentration against Prostaglandin G/H synthase 2 in human whole blood assay B 6.24 pIC50 570 nM IC50 J Med Chem (2004) 47: 4881-4890 [PMID:15369392]
ChEMBL DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) B 6.68 pIC50 208 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production treated 1 hr before arachidonic acid challenge by enzyme immunoassay B 6.74 pIC50 183 nM IC50 Bioorg Med Chem Lett (2009) 19: 4504-4508 [PMID:19520573]
ChEMBL Inhibition of human cyclooxygenase-2 expressed in COS cells B 6.74 pIC50 183 nM IC50 Bioorg Med Chem Lett (2004) 14: 5445-5448 [PMID:15454242]
ChEMBL Inhibition of recombinant human COX-2 assessed as reduction of prostaglandin-G2 to prostaglandin-H2 by measuring oxidation of 10-acetyl-3,7-dihydroxyphenoxazine to resorufin after 5 mins by fluorescence based assay B 7.3 pIC50 50 nM IC50 Medchemcomm (2018) 9: 534-544 [PMID:30108944]
ChEMBL Inhibition of human recombinant COX2 B 7.4 pIC50 40 nM IC50 J Med Chem (2008) 51: 142-147 [PMID:18072726]
ChEMBL Inhibition of human Prostaglandin G/H synthase 2 B 8.3 pIC50 5.01 nM IC50 J Med Chem (2001) 44: 3223-3230 [PMID:11563921]
GtoPdb - - 8.3 pIC50 5 nM IC50 J Med Chem (2000) 43: 775-7 [PMID:10715145]
ChEMBL Inhibitory activity against human recombinant cyclooxygenase 2 B 8.3 pIC50 5 nM IC50 Bioorg Med Chem Lett (2005) 15: 4699-4702 [PMID:16153836]
ChEMBL In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2 B 8.3 pIC50 5 nM IC50 J Med Chem (2000) 43: 775-777 [PMID:10715145]
ChEMBL Compound was tested for its inhibitory activity against recombinant human Prostaglandin G/H synthase 2 B 8.3 pIC50 5 nM IC50 J Med Chem (2000) 43: 1661-1663 [PMID:10794682]
ChEMBL Inhibition of recombinant human COX-2 by radioligand displacement assay B 8.3 pIC50 5 nM IC50 Medchemcomm (2018) 9: 534-544 [PMID:30108944]
ChEMBL In Vitro activity of compound against human recombinant Prostaglandin G/H synthase 2 B 8.3 pIC50 5 nM IC50 J Med Chem (2000) 43: 775-777 [PMID:10715145]
ChEMBL Inhibition of recombinant human COX-2 expressed in Baculovirus infected sf9 cells using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by ELISA B 8.3 pIC50 5 nM IC50 Eur J Med Chem (2019) 162: 1-17 [PMID:30396033]
Cytochrome c oxidase subunit 1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6011] [UniProtKB: O78749]
ChEMBL Inhibition of ovine cyclooxygenase 1 B 4.02 pIC50 96200 nM IC50 Bioorg Med Chem (2008) 16: 5322-5330 [PMID:18353655]
Cytochrome c oxidase subunit 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6174] [UniProtKB: P00403]
ChEMBL Inhibition of human recombinant cyclooxygenase 2 B 5.96 pIC50 1100 nM IC50 Bioorg Med Chem (2008) 16: 5322-5330 [PMID:18353655]
Delta carbonic anhydrase in Thalassiosira weissflogii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3097982] [UniProtKB: Q5U9J1]
ChEMBL Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay B 6.42 pKi 378 nM Ki Bioorg Med Chem Lett (2014) 24: 275-279 [PMID:24314394]
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.54 pKi 2903 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) B 5.53 pIC50 2927 nM IC50 DrugMatrix in vitro pharmacology data
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5767] [UniProtKB: P96878]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 5.11 pKi 7810 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]
Uncharacterized protein Rv1284/MT1322 in Mycobacterium tuberculosis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5631] [UniProtKB: P9WPJ7]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay B 4.89 pKi 12970 nM Ki J Med Chem (2009) 52: 3116-3120 [PMID:19338333]
ChEMBL Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 pre-incubated for 15 mins by stopped-flow CO2 hydration method B 4.89 pKi 12970 nM Ki J Med Chem (2012) 55: 9619-9629 [PMID:23067387]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]