Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50039241   

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 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) Show SMILES COc1ccc2c(CC(=O)Nc3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)cc(=O)oc2c1 Show InChI InChI=1S/C19H16F3N3O8S2/c1-32-10-2-3-11-9(5-18(27)33-14(11)6-10)4-17(26)25-13-7-12(19(20,21)22)15(34(23,28)29)8-16(13)35(24,30)31/h2-3,5-8H,4H2,1H3,(H,25,26)(H2,23,28,29)(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50263373 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) Show SMILES COc1ccc2c(CC(=O)NNc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H17N3O6S/c1-26-13-4-7-15-11(9-18(23)27-16(15)10-13)8-17(22)21-20-12-2-5-14(6-3-12)28(19,24)25/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) Show SMILES COc1ccc2c(CC(=O)Nc3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)cc(=O)oc2c1 Show InChI InChI=1S/C19H16F3N3O8S2/c1-32-10-2-3-11-9(5-18(27)33-14(11)6-10)4-17(26)25-13-7-12(19(20,21)22)15(34(23,28)29)8-16(13)35(24,30)31/h2-3,5-8H,4H2,1H3,(H,25,26)(H2,23,28,29)(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50263939 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(3-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3cccc(c3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-5-6-15-11(8-18(22)26-16(15)10-13)7-17(21)20-12-3-2-4-14(9-12)27(19,23)24/h2-6,8-10H,7H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) Show SMILES COc1ccc2c(CC(=O)Nc3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)cc(=O)oc2c1 Show InChI InChI=1S/C19H16F3N3O8S2/c1-32-10-2-3-11-9(5-18(27)33-14(11)6-10)4-17(26)25-13-7-12(19(20,21)22)15(34(23,28)29)8-16(13)35(24,30)31/h2-3,5-8H,4H2,1H3,(H,25,26)(H2,23,28,29)(H2,24,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50263939 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(3-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3cccc(c3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-5-6-15-11(8-18(22)26-16(15)10-13)7-17(21)20-12-3-2-4-14(9-12)27(19,23)24/h2-6,8-10H,7H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50263939 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(3-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3cccc(c3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-5-6-15-11(8-18(22)26-16(15)10-13)7-17(21)20-12-3-2-4-14(9-12)27(19,23)24/h2-6,8-10H,7H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50263373 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50263373 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	73	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) Show SMILES COc1ccc2c(CC(=O)NNc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H17N3O6S/c1-26-13-4-7-15-11(9-18(23)27-16(15)10-13)8-17(22)21-20-12-2-5-14(6-3-12)28(19,24)25/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H2,19,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50263418 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(2-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-12-6-7-13-11(9-18(22)26-15(13)10-12)8-17(21)20-14-4-2-3-5-16(14)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50263373 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-4-7-15-11(9-18(22)26-16(15)10-13)8-17(21)20-12-2-5-14(6-3-12)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) Show SMILES COc1ccc2c(CC(=O)NNc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H17N3O6S/c1-26-13-4-7-15-11(9-18(23)27-16(15)10-13)8-17(22)21-20-12-2-5-14(6-3-12)28(19,24)25/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50263419 (4-(2-(2-(7-methoxy-2-oxo-2H-chromen-4-yl)acetyl)hy...) Show SMILES COc1ccc2c(CC(=O)NNc3ccc(cc3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H17N3O6S/c1-26-13-4-7-15-11(9-18(23)27-16(15)10-13)8-17(22)21-20-12-2-5-14(6-3-12)28(19,24)25/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50263939 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(3-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3cccc(c3)S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-13-5-6-15-11(8-18(22)26-16(15)10-13)7-17(21)20-12-3-2-4-14(9-12)27(19,23)24/h2-6,8-10H,7H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50263418 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(2-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-12-6-7-13-11(9-18(22)26-15(13)10-12)8-17(21)20-14-4-2-3-5-16(14)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50264007 (CHEMBL489182 | N-(2,4-Disulfamoyl-5-trifluoromethy...) Show SMILES COc1ccc2c(CC(=O)Nc3cc(c(cc3S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F)cc(=O)oc2c1 Show InChI InChI=1S/C19H16F3N3O8S2/c1-32-10-2-3-11-9(5-18(27)33-14(11)6-10)4-17(26)25-13-7-12(19(20,21)22)15(34(23,28)29)8-16(13)35(24,30)31/h2-3,5-8H,4H2,1H3,(H,25,26)(H2,23,28,29)(H2,24,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50263418 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(2-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-12-6-7-13-11(9-18(22)26-15(13)10-12)8-17(21)20-14-4-2-3-5-16(14)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 catalytic domain preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50263418 (2-(7-Methoxy-2-oxo-2H-chromen-4-yl)-N-(2-sulfamoyl...) Show SMILES COc1ccc2c(CC(=O)Nc3ccccc3S(N)(=O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C18H16N2O6S/c1-25-12-6-7-13-11(9-18(22)26-15(13)10-12)8-17(21)20-14-4-2-3-5-16(14)27(19,23)24/h2-7,9-10H,8H2,1H3,(H,20,21)(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	131	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method				Bioorg Med Chem 18: 4873-8 (2010) Article DOI: 10.1016/j.bmc.2010.06.028 BindingDB Entry DOI: 10.7270/Q2D21ZKM
					More data for this Ligand-Target Pair				3D Structure (crystal)