Compile Data Set for Download or QSAR

Found 12596 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50114862 (CHEMBL3608874) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCOCC1 Show InChI InChI=1S/C14H15N3O5S/c15-23(19,20)11-3-1-10(2-4-11)12-9-16-13(22-12)14(18)17-5-7-21-8-6-17/h1-4,9H,5-8H2,(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50114861 (CHEMBL3608873) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc(o1)C(=O)N1CCCC1 Show InChI InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50114853 (CHEMBL3608890) Show SMILES Cc1ncc(o1)-c1csc(c1)S(N)(=O)=O Show InChI InChI=1S/C8H8N2O3S2/c1-5-10-3-7(13-5)6-2-8(14-4-6)15(9,11)12/h2-4H,1H3,(H2,9,11,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50114857 (CHEMBL3608894) Show SMILES NS(=O)(=O)c1cc(cs1)-c1cnc(o1)C(=O)N1CCOCC1 Show InChI InChI=1S/C12H13N3O5S2/c13-22(17,18)10-5-8(7-21-10)9-6-14-11(20-9)12(16)15-1-3-19-4-2-15/h5-7H,1-4H2,(H2,13,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Saint Petersburg State University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method				Eur J Med Chem 101: 334-47 (2015) Article DOI: 10.1016/j.ejmech.2015.06.022 BindingDB Entry DOI: 10.7270/Q2W95BZC
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50252993 (CHEMBL4073678) Show SMILES [O-][N+](=O)c1ccccc1-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16N6O4S2/c28-19(13-32-21-26-25-20(33-21)23-14-6-2-1-3-7-14)24-22-12-15-10-11-18(31-15)16-8-4-5-9-17(16)27(29)30/h1-12H,13H2,(H,23,25)(H,24,28)/b22-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Non-competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Linew...				Bioorg Med Chem 25: 3547-3554 (2017)
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50252992 (CHEMBL4100496) Show SMILES Clc1ccc(cc1)-c1ccc(\C=N\NC(=O)CSc2nnc(Nc3ccccc3)s2)o1 Show InChI InChI=1S/C21H16ClN5O2S2/c22-15-8-6-14(7-9-15)18-11-10-17(29-18)12-23-25-19(28)13-30-21-27-26-20(31-21)24-16-4-2-1-3-5-16/h1-12H,13H2,(H,24,26)(H,25,28)/b23-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave...				Bioorg Med Chem 25: 3547-3554 (2017)
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50133408 (CHEMBL3632844) Show SMILES Nc1ccc(cc1)C(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 20: 2392-404 (2012) Article DOI: 10.1016/j.bmc.2012.01.052 BindingDB Entry DOI: 10.7270/Q22B8ZGK
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay				J Med Chem 53: 2913-26 (2010) Article DOI: 10.1021/jm901888x BindingDB Entry DOI: 10.7270/Q2DN460W
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibitory constant against catalytic domain of human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3828-33 (2005) Article DOI: 10.1016/j.bmcl.2005.06.055 BindingDB Entry DOI: 10.7270/Q2C82B2K
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Ki value against human carbonic anhydrase XII (hCA XII)				Bioorg Med Chem Lett 15: 963-9 (2005) Article DOI: 10.1016/j.bmcl.2004.12.053 BindingDB Entry DOI: 10.7270/Q29887RZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM11028 (1-Acetamido-5-sulfonamidoindane | CHEMBL359768 | I...) Show SMILES CC(=O)NC1CCc2cc(ccc12)S(N)(=O)=O Show InChI InChI=1/C11H14N2O3S/c1-7(14)13-11-5-2-8-6-9(17(12,15)16)3-4-10(8)11/h3-4,6,11H,2,5H2,1H3,(H,13,14)(H2,12,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50133390 (CHEMBL3632826) Show SMILES CC(C)(C)OC(=O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H19NO4S/c1-17(2,3)22-16(19)14-6-4-12(5-7-14)13-8-10-15(11-9-13)23(18,20)21/h4-11H,1-3H3,(H2,18,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50153971 (4-(4,6-Dichloro-[1,3,5]triazin-2-ylamino)-benzenes...) Show SMILES NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 Show InChI InChI=1S/C9H7Cl2N5O2S/c10-7-14-8(11)16-9(15-7)13-5-1-3-6(4-2-5)19(12,17)18/h1-4H,(H2,12,17,18)(H,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 19: 3105-19 (2011) Article DOI: 10.1016/j.bmc.2011.04.005 BindingDB Entry DOI: 10.7270/Q2FF3SQ6
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50155554 (5-Chloro-2-methoxy-N-(5-sulfamoyl-indan-2-yl)-benz...) Show SMILES COc1ccc(Cl)cc1C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O Show InChI InChI=1/C17H17ClN2O4S/c1-24-16-5-3-12(18)9-15(16)17(21)20-13-6-10-2-4-14(25(19,22)23)8-11(10)7-13/h2-5,8-9,13H,6-7H2,1H3,(H,20,21)(H2,19,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50252996 (CHEMBL4097972) Show SMILES Clc1ccc(-c2ccc(\C=N\NC(=O)CSc3nnc(Nc4ccccc4)s3)o2)c(Cl)c1 Show InChI InChI=1S/C21H15Cl2N5O2S2/c22-13-6-8-16(17(23)10-13)18-9-7-15(30-18)11-24-26-19(29)12-31-21-28-27-20(32-21)25-14-4-2-1-3-5-14/h1-11H,12H2,(H,25,27)(H,26,29)/b24-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Anadolu University Curated by ChEMBL					Assay Description Competitive inhibition of carbonic anhydrase-1 in human erythrocyte membranes assessed as reduction in H+ release using CO2 as substrate by Lineweave...				Bioorg Med Chem 25: 3547-3554 (2017)
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50155556 (2,3-dihydro-1H-indene-5-sulfonamide | CHEMBL364869...) Show SMILES NS(=O)(=O)c1ccc2CCCc2c1 Show InChI InChI=1S/C9H11NO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H2,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222056 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(2-bromophenyl)acryloy...) Show SMILES Brc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O Show InChI InChI=1/C24H18BrNO3/c25-19-4-2-1-3-14(19)9-12-20(27)15-7-10-18(11-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-9+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.405	-53.6	0.573	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50133394 (CHEMBL3632830) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H10N2O4S/c13-19(17,18)12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(15)16/h1-8H,(H2,13,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50133400 (CHEMBL3632836) Show SMILES COC(=O)c1ccc(cc1)C(O)c1ccc(cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1/C21H19NO5S/c1-27-21(24)18-8-6-17(7-9-18)20(23)16-4-2-14(3-5-16)15-10-12-19(13-11-15)28(22,25)26/h2-13,20,23H,1H3,(H2,22,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method				J Med Chem 58: 8564-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b01144 BindingDB Entry DOI: 10.7270/Q2FF3V5V
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50155552 (4-Chloro-N-(5-sulfamoyl-indan-2-yl)-benzamide | 4-...) Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1/C16H15ClN2O3S/c17-13-4-1-10(2-5-13)16(20)19-14-7-11-3-6-15(23(18,21)22)9-12(11)8-14/h1-6,9,14H,7-8H2,(H,19,20)(H2,18,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222054 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-bromophenyl)acryloy...) Show SMILES Brc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 Show InChI InChI=1/C24H18BrNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.442	-53.4	0.466	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50106422 (CHEMBL3601892) Show SMILES NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1C1CCCCC1 Show InChI InChI=1S/C19H21N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h4,7-13,15H,1-3,5-6H2,(H2,20,23,24)/b21-19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12				Bioorg Med Chem Lett 25: 3281-4 (2015) Article DOI: 10.1016/j.bmcl.2015.05.076 BindingDB Entry DOI: 10.7270/Q2RB76CZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222047 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-methoxyphenyl)acryl...) Show SMILES COc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1/C25H21NO4/c1-30-20-4-2-3-15(13-20)5-12-21(27)16-8-10-19(11-9-16)26-24(28)22-17-6-7-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b12-5+/t17-,18+,22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.469	-53.2	0.606	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic Anhydrase XIV (Homo sapiens (Human))	BDBM50155550 (2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-indan-2-yl)-ben...) Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)cc(F)c1F Show InChI InChI=1/C16H12F4N2O3S/c17-11-6-12(18)15(20)13(14(11)19)16(23)22-9-3-7-1-2-10(26(21,24)25)5-8(7)4-9/h1-2,5-6,9H,3-4H2,(H,22,23)(H2,21,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 14 by CO2 hydration assay				Eur J Med Chem 43: 2853-60 (2008) Article DOI: 10.1016/j.ejmech.2008.02.018 BindingDB Entry DOI: 10.7270/Q2Z03922
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50107340 (CHEMBL3601395) Show SMILES Cc1nn(c(Cl)c1C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Br)cc1)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1/C25H22BrClN6O4S2/c1-15-24(25(27)33(30-15)19-8-12-21(13-9-19)39(29,36)37)23-14-22(16-2-4-17(26)5-3-16)31-32(23)18-6-10-20(11-7-18)38(28,34)35/h2-13,23H,14H2,1H3,(H2,28,34,35)(H2,29,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50147171 (CHEMBL3764657) Show SMILES COc1ccc2NC(=O)\C(=N/c3ccc(cc3)C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C22H18N4O5S/c1-31-16-8-11-19-18(12-16)20(22(28)26-19)24-14-4-2-13(3-5-14)21(27)25-15-6-9-17(10-7-15)32(23,29)30/h2-12H,1H3,(H,25,27)(H2,23,29,30)(H,24,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) Article DOI: 10.1016/j.ejmech.2016.01.030 BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50190142 (CHEMBL3828241) Show SMILES COc1ccc2c(c1)nc(S)n(CCc1ccc(cc1)S(N)(=O)=O)c2=O Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-14-15(10-12)19-17(25)20(16(14)21)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222051 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-chlorophenyl)acrylo...) Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 Show InChI InChI=1/C24H18ClNO3/c25-18-8-1-14(2-9-18)3-12-20(27)15-6-10-19(11-7-15)26-23(28)21-16-4-5-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b12-3+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.475	-53.2	0.506	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Drosophila melanogaster)	BDBM50428443 (CHEMBL2334360) Show SMILES [S-]C(=S)Nc1cccs1 Show InChI InChI=1S/C5H5NS3/c7-5(8)6-4-2-1-3-9-4/h1-3H,(H2,6,7,8)/p-1	Reactome pathway KEGG GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tampere and Tampere University Hospital Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...				Bioorg Med Chem 21: 1516-21 (2013) Article DOI: 10.1016/j.bmc.2012.08.046 BindingDB Entry DOI: 10.7270/Q2HT2QNH
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50395391 (CHEMBL2164737) Show SMILES NS(=O)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H23N5O7S3/c22-34(28,29)19-9-1-15(2-10-19)13-14-24-21(27)16-3-5-17(6-4-16)25-35(30,31)20-11-7-18(8-12-20)26-36(23,32)33/h1-12,25-26H,13-14H2,(H,24,27)(H2,22,28,29)(H2,23,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR Curated by ChEMBL					Assay Description Inhibition of human recombinant CA12 catalytic domain preincubated for 15 mins by stopped-flow CO2 hydration assay				J Med Chem 55: 6776-83 (2012) Article DOI: 10.1021/jm300818k BindingDB Entry DOI: 10.7270/Q2736S2H
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222055 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-bromophenyl)acryloy...) Show SMILES Brc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1/C24H18BrNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.501	-53.1	0.597	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222046 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(4-methoxyphenyl)acryl...) Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)cc1 Show InChI InChI=1/C25H21NO4/c1-30-20-11-2-15(3-12-20)4-13-21(27)16-7-9-19(10-8-16)26-24(28)22-17-5-6-18(14-17)23(22)25(26)29/h2-13,17-18,22-23H,14H2,1H3/b13-4+/t17-,18+,22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.513	-53.0	0.639	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222052 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(3-chlorophenyl)acrylo...) Show SMILES Clc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1/C24H18ClNO3/c25-18-3-1-2-14(12-18)4-11-20(27)15-7-9-19(10-8-15)26-23(28)21-16-5-6-17(13-16)22(21)24(26)29/h1-12,16-17,21-22H,13H2/b11-4+/t16-,17+,21-,22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.518	-53.0	0.619	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387151 (4-ureidophenyl sulfamate ring derivative 3ao | CHE...) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1 Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50185304 (SULFASUCCINAMIDE | Sulfasuccinamide) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1 Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay				J Med Chem 59: 5077-88 (2016) Article DOI: 10.1021/acs.jmedchem.6b00492 BindingDB Entry DOI: 10.7270/Q2HT2R80
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222049 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(m-tolyl)acryloyl)phen...) Show SMILES Cc1cccc(\C=C\C(=O)c2ccc(cc2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)c1 Show InChI InChI=1/C25H21NO3/c1-15-3-2-4-16(13-15)5-12-21(27)17-8-10-20(11-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b12-5+/t18-,19+,22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.523	-53.0	0.579	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222050 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(o-tolyl)acryloyl)phen...) Show SMILES Cc1ccccc1\C=C\C(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O Show InChI InChI=1/C25H21NO3/c1-15-4-2-3-5-16(15)10-13-21(27)17-8-11-20(12-9-17)26-24(28)22-18-6-7-19(14-18)23(22)25(26)29/h2-13,18-19,22-23H,14H2,1H3/b13-10+/t18-,19+,22-,23+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.529	-52.9	0.537	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50428841 (CHEMBL2337134) Show SMILES COc1cc(OC)c(\C=C(/C#N)C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(OC)c1 Show InChI InChI=1S/C19H19N3O6S/c1-26-14-9-17(27-2)16(18(10-14)28-3)8-12(11-20)19(23)22-13-4-6-15(7-5-13)29(21,24)25/h4-10H,1-3H3,(H,22,23)(H2,21,24,25)/b12-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Salman Bin Abdulaziz University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1396-403 (2013) Article DOI: 10.1016/j.bmc.2012.12.004 BindingDB Entry DOI: 10.7270/Q2GM88N1
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM152638 (4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...) Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C14H10N2O4S/c15-21(19,20)10-7-5-9(6-8-10)16-13(17)11-3-1-2-4-12(11)14(16)18/h1-8H,(H2,15,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50387153 (CHEMBL2047835) Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)Nc2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C17H15N3O4S/c18-25(22,23)24-16-9-7-14(8-10-16)19-17(21)20-15-6-5-12-3-1-2-4-13(12)11-15/h1-11H,(H2,18,22,23)(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.537	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Romanian Academy Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-1				Bioorg Med Chem 21: 1404-9 (2013) Article DOI: 10.1016/j.bmc.2012.11.004 BindingDB Entry DOI: 10.7270/Q2XW4M4Q
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50233597 (CHEMBL4091363) Show SMILES COc1cc(Br)c(C[C@H]2C[C@H]2C(O)=O)c(Br)c1OC Show InChI InChI=1/C13H14Br2O4/c1-18-10-5-9(14)8(11(15)12(10)19-2)4-6-3-7(6)13(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)/t6-,7-/s2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Atat£rk University Curated by ChEMBL					Assay Description Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method				J Med Chem 58: 640-50 (2015) Article DOI: 10.1021/jm501573b BindingDB Entry DOI: 10.7270/Q2PR7Z6B
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50107373 (CHEMBL3601461) Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1c(C)nn(c1Cl)-c1ccc(cc1)S(N)(=O)=O)C(C)=O Show InChI InChI=1/C22H22ClN5O4S/c1-13-21(22(23)28(25-13)16-6-10-18(11-7-16)33(24,30)31)20-12-19(26-27(20)14(2)29)15-4-8-17(32-3)9-5-15/h4-11,20H,12H2,1-3H3,(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase-12 incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 25: 3208-12 (2015) Article DOI: 10.1016/j.bmcl.2015.05.096 BindingDB Entry DOI: 10.7270/Q2PC345N
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50147167 (CHEMBL3764098) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)\N=C2/C(=O)Nc3ccc(Cl)cc23)cc1 Show InChI InChI=1S/C21H15ClN4O4S/c22-13-3-10-18-17(11-13)19(21(28)26-18)24-14-4-1-12(2-5-14)20(27)25-15-6-8-16(9-7-15)31(23,29)30/h1-11H,(H,25,27)(H2,23,29,30)(H,24,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay				Eur J Med Chem 110: 259-66 (2016) Article DOI: 10.1016/j.ejmech.2016.01.030 BindingDB Entry DOI: 10.7270/Q2D79D8Q
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50171190 (CHEMBL3804902) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3ccccc3oc2=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H19FN6O4S2/c29-20-7-5-17(6-8-20)26-19(15-35(34-26)21-9-11-22(12-10-21)41(30,37)38)14-31-33-28-32-24(16-40-28)23-13-18-3-1-2-4-25(18)39-27(23)36/h1-16H,(H,32,33)(H2,30,37,38)/b31-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50171191 (CHEMBL3806054) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(\C=N/Nc2nc(cs2)-c2cc3cc(Cl)ccc3oc2=O)c(n1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H18ClFN6O4S2/c29-19-3-10-25-17(11-19)12-23(27(37)40-25)24-15-41-28(33-24)34-32-13-18-14-36(21-6-8-22(9-7-21)42(31,38)39)35-26(18)16-1-4-20(30)5-2-16/h1-15H,(H,33,34)(H2,31,38,39)/b32-13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kurukshetra University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay				Bioorg Med Chem 24: 2882-2886 (2016) Article DOI: 10.1016/j.bmc.2016.04.052 BindingDB Entry DOI: 10.7270/Q2F47R2P
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50190147 (CHEMBL3828207) Show SMILES NS(=O)(=O)c1ccc(CCn2c(S)nc3ccc(Cl)cc3c2=O)cc1 Show InChI InChI=1S/C16H14ClN3O3S2/c17-11-3-6-14-13(9-11)15(21)20(16(24)19-14)8-7-10-1-4-12(5-2-10)25(18,22)23/h1-6,9H,7-8H2,(H,19,24)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50190143 (CHEMBL3827651) Show SMILES COc1ccc2nc(S)n(CCc3ccc(cc3)S(N)(=O)=O)c(=O)c2c1 Show InChI InChI=1S/C17H17N3O4S2/c1-24-12-4-7-15-14(10-12)16(21)20(17(25)19-15)9-8-11-2-5-13(6-3-11)26(18,22)23/h2-7,10H,8-9H2,1H3,(H,19,25)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human CA12 preincubated for 15 mins by stopped flow CO2 hydration assay				Bioorg Med Chem 24: 4100-4107 (2016) Article DOI: 10.1016/j.bmc.2016.06.052 BindingDB Entry DOI: 10.7270/Q2FJ2JPH
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM222059 ((3aR,4S,7R,7aS)-2-(4-((E)-3-(pyridin-4-yl)acryloyl...) Show SMILES O=C(\C=C\c1ccncc1)c1ccc(cc1)N1C(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C1=O Show InChI InChI=1/C23H18N2O3/c26-19(8-1-14-9-11-24-12-10-14)15-4-6-18(7-5-15)25-22(27)20-16-2-3-17(13-16)21(20)23(25)28/h1-12,16-17,20-21H,13H2/b8-1+/t16-,17+,20-,21+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	PC cid PC sid UniChem	Article PubMed	0.549	-52.9	0.611	n/a	n/a	n/a	n/a	7.4	25
Cumhuriyet University					Assay Description Esterase activity assay was performed based on the method of by Verpoorte et al. [Verpoorte et al., J. Biol. Chem., 242:4221-4229] as described in pr...				Bioorg Chem 70: 118-125 (2017) Article DOI: 10.1016/j.bioorg.2016.12.001 BindingDB Entry DOI: 10.7270/Q2CF9NZB
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50035682 (CHEMBL2377786) Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C15H12N2O4S/c16-22(20,21)11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2,(H2,16,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King Saud University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay				Bioorg Med Chem Lett 24: 5185-9 (2014) Article DOI: 10.1016/j.bmcl.2014.09.076 BindingDB Entry DOI: 10.7270/Q25Q4XP2
					More data for this Ligand-Target Pair

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