Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 8231   

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 2 (Homo sapiens (Human))	BDBM237231 (hCA inhibitor, 1) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237234 (hCA inhibitor, 5) Show SMILES CCOC1Oc2c(CC)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-3-13-6-5-7-16-18(23)17(20(26-4-2)27-19(13)16)12-22-14-8-10-15(11-9-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	286	-37.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60962 (hCA inhibitor, 2) Show SMILES CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	437	-36.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	612	-35.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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	Article PubMed	628	-35.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM237231 (hCA inhibitor, 1) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	943	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.01E+3	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.10E+3	-34.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237232 (hCA inhibitor, 3) Show SMILES CCOC1Oc2c(Br)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.13E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.21E+3	-33.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM237234 (hCA inhibitor, 5) Show SMILES CCOC1Oc2c(CC)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-3-13-6-5-7-16-18(23)17(20(26-4-2)27-19(13)16)12-22-14-8-10-15(11-9-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)/b17-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.25E+3	-33.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM60962 (hCA inhibitor, 2) Show SMILES CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.53E+3	-33.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237233 (hCA inhibitor, 4) Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11)28(21,24)25)16(23)13-7-10(19)8-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM237232 (hCA inhibitor, 3) Show SMILES CCOC1Oc2c(Br)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+3	-32.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.11E+3	-30.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM237233 (hCA inhibitor, 4) Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11)28(21,24)25)16(23)13-7-10(19)8-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)/b14-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.28E+3	-30.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10859 (4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...) Show SMILES Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.14E+3	-29.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237231 (hCA inhibitor, 1) Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H18N2O5S/c1-2-24-18-15(17(21)14-5-3-4-6-16(14)25-18)11-20-12-7-9-13(10-8-12)26(19,22)23/h3-11,18,20H,2H2,1H3,(H2,19,22,23)/b15-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.37E+4	-27.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM10859 (4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...) Show SMILES Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.12E+4	-26.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237234 (hCA inhibitor, 5) Show SMILES CCOC1Oc2c(CC)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C20H22N2O5S/c1-3-13-6-5-7-16-18(23)17(20(26-4-2)27-19(13)16)12-22-14-8-10-15(11-9-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)/b17-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.43E+4	-26.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM60962 (hCA inhibitor, 2) Show SMILES CCOC1Oc2c(F)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.72E+4	-25.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM12414 (CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...) Show SMILES NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+4	-25.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.19E+4	-25.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	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	4.29E+4	-24.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237232 (hCA inhibitor, 3) Show SMILES CCOC1Oc2c(Br)cccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-14(16(22)13-4-3-5-15(19)17(13)26-18)10-21-11-6-8-12(9-7-11)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)/b14-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.81E+4	-24.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237233 (hCA inhibitor, 4) Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-3-5-12(6-4-11)28(21,24)25)16(23)13-7-10(19)8-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.12E+4	-23.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10859 (4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...) Show SMILES Cc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.18E+5	-22.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Ondokuz Mayis University					Assay Description Carbonic anhydrase activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a ...				J Enzyme Inhib Med Chem 27: 744-7 (2012) Article DOI: 10.3109/14756366.2011.614607 BindingDB Entry DOI: 10.7270/Q2H70DQ2
					More data for this Ligand-Target Pair