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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| 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 | 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 | 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 | 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] |
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
