Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8235   

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))	BDBM60970 (Ethoxzolamide (EZA)) Show SMILES CCOc1ccc2N=CC(CS(N)(=O)=O)Sc2c1 |c:7| Show InChI InChI=1S/C11H14N2O3S2/c1-2-16-8-3-4-10-11(5-8)17-9(6-13-10)7-18(12,14)15/h3-6,9H,2,7H2,1H3,(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	11	-45.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	15	-44.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
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	15	-44.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM60970 (Ethoxzolamide (EZA)) Show SMILES CCOc1ccc2N=CC(CS(N)(=O)=O)Sc2c1 |c:7| Show InChI InChI=1S/C11H14N2O3S2/c1-2-16-8-3-4-10-11(5-8)17-9(6-13-10)7-18(12,14)15/h3-6,9H,2,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-42.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	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 Article PubMed	41	-42.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM60970 (Ethoxzolamide (EZA)) Show SMILES CCOc1ccc2N=CC(CS(N)(=O)=O)Sc2c1 |c:7| Show InChI InChI=1S/C11H14N2O3S2/c1-2-16-8-3-4-10-11(5-8)17-9(6-13-10)7-18(12,14)15/h3-6,9H,2,7H2,1H3,(H2,12,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	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 Article PubMed	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	62	-41.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	85	-40.4	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM10888 (1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...) Show SMILES NS(=O)(=O)Cc1noc2ccccc12 Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	95	-40.1	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237291 (CA inhibitor, 2) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccccc1 Show InChI InChI=1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	105	-39.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM237291 (CA inhibitor, 2) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccccc1 Show InChI InChI=1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	128	-39.3	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					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	270	-37.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50373877 (Betaxin | CA inhibitor, 3 | THIAMINE (VIT B1) | Th...) Show SMILES Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	380	-36.6	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM60969 (CA inhibitor, 1) Show SMILES Cc1c(CCO)sc[n+]1C Show InChI InChI=1S/C7H12NOS/c1-6-7(3-4-9)10-5-8(6)2/h5,9H,3-4H2,1-2H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	593	-35.5	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM60969 (CA inhibitor, 1) Show SMILES Cc1c(CCO)sc[n+]1C Show InChI InChI=1S/C7H12NOS/c1-6-7(3-4-9)10-5-8(6)2/h5,9H,3-4H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	784	-34.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237291 (CA inhibitor, 2) Show SMILES Cc1c(CCO)sc[n+]1Cc1ccccc1 Show InChI InChI=1S/C13H16NOS/c1-11-13(7-8-15)16-10-14(11)9-12-5-3-2-4-6-12/h2-6,10,15H,7-9H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.15E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM60969 (CA inhibitor, 1) Show SMILES Cc1c(CCO)sc[n+]1C Show InChI InChI=1S/C7H12NOS/c1-6-7(3-4-9)10-5-8(6)2/h5,9H,3-4H2,1-2H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.27E+3	-32.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Kirklareli University					Assay Description Phenol red (at a concentration of 0.2 mM) has been used as indicator, working at the absorbance maximum of 557 nm, with 10 mM Tris-HCl (pH 7.5) as bu...				J Enzyme Inhib Med Chem 28: 316-9 (2013) Article DOI: 10.3109/14756366.2011.637200 BindingDB Entry DOI: 10.7270/Q208647F
					More data for this Ligand-Target Pair