3,5-dihydroxybenzoic acid [Ligand Id: 5783] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL95308 (3,5-Dihydroxybenzoicacid, 3,5-Dihydroxybenzoic Acid, 3,5-Dihydroxy-Benzoic Acid)
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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 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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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 14/Carbonic anhydrase XIV in Human [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
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  • protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
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  • HCA1 receptor in Human [GtoPdb: 311] [UniProtKB: Q9BXC0]
  • HCA1 receptor in Mouse [GtoPdb: 311] [UniProtKB: Q8C131]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Carbonic anhydrase in Dicentrarchus labrax (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795125] [UniProtKB: Q2PCB5]
ChEMBL Inhibition of Dicentrarchus labrax CA using 4-nitrophenylacetate substrate by esterase assay B 5.67 pKi 2130 nM Ki Bioorg Med Chem Lett (2011) 21: 4259-4262 [PMID:21669522]
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 preincubated for 15 mins by CO2 hydration stopped-flow assay B 6.26 pKi 550 nM Ki Bioorg Med Chem (2011) 19: 1381-1389 [PMID:21282059]
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 preincubated for 15 mins by CO2 hydration stopped-flow assay B 6.29 pKi 510 nM Ki Bioorg Med Chem (2011) 19: 1381-1389 [PMID:21282059]
carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
ChEMBL Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay B 5.36 pKi 4410 nM Ki Bioorg Med Chem (2011) 19: 1381-1389 [PMID:21282059]
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
ChEMBL Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay B 5.14 pKi 7170 nM Ki Bioorg Med Chem (2013) 21: 1564-1569 [PMID:22668600]
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
ChEMBL Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay B 5.44 pKi 3670 nM Ki Bioorg Med Chem (2011) 19: 1381-1389 [PMID:21282059]
carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
ChEMBL Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay B 6.19 pKi 650 nM Ki Bioorg Med Chem (2013) 21: 1564-1569 [PMID:22668600]
protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
ChEMBL Inhibition of human recombinant PTP1B expressed in CHO cells assessed as p-nitorphenol production after 2 mins by microplate reader B 4 pIC50 >100000 nM IC50 Eur J Med Chem (2011) 46: 4212-4218 [PMID:21745700]
HCA1 receptor in Human [GtoPdb: 311] [UniProtKB: Q9BXC0]
GtoPdb - - 3.72 pEC50 191000 nM EC50 J Pharmacol Exp Ther (2012) 341: 794-801 [PMID:22434674]
HCA1 receptor in Mouse [GtoPdb: 311] [UniProtKB: Q8C131]
GtoPdb - - 3.76 pEC50 172000 nM EC50 J Pharmacol Exp Ther (2012) 341: 794-801 [PMID:22434674]

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]