hydrochlorothiazide [Ligand Id: 4836] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL435 (Apo-hydro, Apresazide, Carozide, Chlorosulthiadil, Copalia-hct, Dafiro-hct, Dihydrochlorurite, Esidrex, Esidrix, Exforge-hct, Hctz, Hidroclorotiazida, Hidrotiazida, Hydrochlorothiaizide, Hydrochlorothiazide, Hydrochlorothiazide intensol, Hydrochlorothiazidum, Hydro-d, Hydrodiuril, Hydrosaluric, Idrotiazide, Imprida-hct, Lotensin hct, Megadiuril, Microzide, Newtolide, NSC-53477, Oretic, Pantemon, Rasilez-hct, Servithiazid, SU-5879, Unipres, Vetidrex, Zide)
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  • Carbonate dehydratase in Sulfurihydrogenibium sp. (strain YO3AOP1) [ChEMBL: CHEMBL3745586] [UniProtKB: B2V8E3]
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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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  • Delta carbonic anhydrase in Thalassiosira weissflogii [ChEMBL: CHEMBL3097982] [UniProtKB: Q5U9J1]
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  • N-Acylphosphatidylethanolamine-phospholipase D in Human [GtoPdb: 1398] [UniProtKB: Q6IQ20]
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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 7.5 pKi 31.5 nM Ki Bioorg Med Chem (2015) 23: 2303-2309 [PMID:25882523]
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 6.4 pKi 394 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 8.14 pKi 7.2 nM Ki Bioorg Med Chem Lett (2016) 26: 401-405 [PMID:26691758]
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 6.53 pKi 296 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 human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5 B 6.48 pKi 328 nM Ki Bioorg Med Chem (2011) 19: 1847-1851 [PMID:21377369]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay B 6.48 pKi 328 nM Ki Bioorg Med Chem (2011) 19: 5023-5030 [PMID:21757360]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay B 6.48 pKi 328 nM Ki Bioorg Med Chem (2012) 20: 1403-1410 [PMID:22285172]
ChEMBL Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 nM Ki Bioorg Med Chem (2013) 21: 1534-1538 [PMID:22883029]
ChEMBL Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay B 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 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 6.48 pKi 328 nM Ki Bioorg Med Chem Lett (2016) 26: 1821-1826 [PMID:26920803]
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 6.48 pKi 328 nM Ki Bioorg Med Chem Lett (2017) 27: 490-495 [PMID:28025002]
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 6.48 pKi 328 nM Ki Bioorg Med Chem (2017) 25: 3555-3561 [PMID:28511911]
ChEMBL Inhibition of full length human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stop flow CO2 hydrase assay B 6.48 pKi 328 nM Ki Bioorg Med Chem Lett (2016) 26: 4184-4190 [PMID:27485387]
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
ChEMBL Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5 B 6.54 pKi 290 nM Ki Bioorg Med Chem (2011) 19: 1847-1851 [PMID:21377369]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay B 6.54 pKi 290 nM Ki Bioorg Med Chem (2011) 19: 5023-5030 [PMID:21757360]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay B 6.54 pKi 290 nM Ki Bioorg Med Chem (2012) 20: 1403-1410 [PMID:22285172]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay B 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 nM Ki Bioorg Med Chem (2013) 21: 1534-1538 [PMID:22883029]
ChEMBL Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay B 6.54 pKi 290 nM Ki Bioorg Med Chem Lett (2014) 24: 275-279 [PMID:24314394]
ChEMBL Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay B 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 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 6.54 pKi 290 nM Ki Bioorg Med Chem Lett (2016) 26: 4184-4190 [PMID:27485387]
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 5.37 pKi 4270 nM Ki Bioorg Med Chem Lett (2014) 24: 275-279 [PMID:24314394]
N-Acylphosphatidylethanolamine-phospholipase D in Human [GtoPdb: 1398] [UniProtKB: Q6IQ20]
GtoPdb Determined by surface plasmon resonance, in the absence of deoxycholic acid in the bile acid binding domain - 5.1 pKd 8000 nM Kd Cell Chem Biol (2025) : [PMID:39999832]
GtoPdb equilibrium dissociation constant in presence of deoxycholic acid, determined by SPR - 6.13 pKd 740 nM Kd Cell Chem Biol (2025) : [PMID:39999832]

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]