Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8234   

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))	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	23	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237286 (CA inhibitor, 5d) Show SMILES Cc1ccc(o1)-c1c2CCCc2nc(N)c1C#N Show InChI InChI=1S/C14H13N3O/c1-8-5-6-12(18-8)13-9-3-2-4-11(9)17-14(16)10(13)7-15/h5-6H,2-4H2,1H3,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.38E+4	n/a	3.30E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					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	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237285 (CA inhibitor, 5c) Show SMILES Cc1ccc(s1)-c1c2CCCCCc2nc(N)c1C#N Show InChI InChI=1S/C16H17N3S/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.06E+4	n/a	4.00E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM74795 (2-Amino-4-(5-methyl-thiophen-2-yl)-5,6,7,8-tetrahy...) Show SMILES Cc1ccc(s1)-c1c2CCCCc2nc(N)c1C#N Show InChI InChI=1S/C15H15N3S/c1-9-6-7-13(19-9)14-10-4-2-3-5-12(10)18-15(17)11(14)8-16/h6-7H,2-5H2,1H3,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.10E+4	n/a	3.40E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237289 (CA inhibitor, 5i) Show SMILES Cc1ccc(s1)-c1c2CCSCc2nc(N)c1C#N Show InChI InChI=1S/C14H13N3S2/c1-8-2-3-12(19-8)13-9-4-5-18-7-11(9)17-14(16)10(13)6-15/h2-3H,4-5,7H2,1H3,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.84E+4	n/a	5.50E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237286 (CA inhibitor, 5d) Show SMILES Cc1ccc(o1)-c1c2CCCc2nc(N)c1C#N Show InChI InChI=1S/C14H13N3O/c1-8-5-6-12(18-8)13-9-3-2-4-11(9)17-14(16)10(13)7-15/h5-6H,2-4H2,1H3,(H2,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+4	n/a	5.60E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237290 (CA inhibitor, 5l) Show SMILES Cc1ccc(o1)-c1c2CCSCc2nc(N)c1C#N Show InChI InChI=1S/C14H13N3OS/c1-8-2-3-12(18-8)13-9-4-5-19-7-11(9)17-14(16)10(13)6-15/h2-3H,4-5,7H2,1H3,(H2,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.03E+4	n/a	5.30E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237288 (CA inhibitor, 5f) Show SMILES Cc1ccc(o1)-c1c2CCCCCc2nc(N)c1C#N Show InChI InChI=1S/C16H17N3O/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.85E+4	n/a	5.30E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237285 (CA inhibitor, 5c) Show SMILES Cc1ccc(s1)-c1c2CCCCCc2nc(N)c1C#N Show InChI InChI=1S/C16H17N3S/c1-10-7-8-14(20-10)15-11-5-3-2-4-6-13(11)19-16(18)12(15)9-17/h7-8H,2-6H2,1H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.30E+4	n/a	7.70E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237287 (CA inhibitor, 5e) Show SMILES Cc1ccc(o1)-c1c2CCCCc2nc(N)c1C#N Show InChI InChI=1S/C15H15N3O/c1-9-6-7-13(19-9)14-10-4-2-3-5-12(10)18-15(17)11(14)8-16/h6-7H,2-5H2,1H3,(H2,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.90E+4	n/a	4.80E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM74795 (2-Amino-4-(5-methyl-thiophen-2-yl)-5,6,7,8-tetrahy...) Show SMILES Cc1ccc(s1)-c1c2CCCCc2nc(N)c1C#N Show InChI InChI=1S/C15H15N3S/c1-9-6-7-13(19-9)14-10-4-2-3-5-12(10)18-15(17)11(14)8-16/h6-7H,2-5H2,1H3,(H2,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.82E+5	n/a	9.90E+4	n/a	n/a	n/a	n/a	7.4	n/a
Gazi University					Assay Description CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...				J Enzyme Inhib Med Chem 28: 305-10 (2013) Article DOI: 10.3109/14756366.2011.639016 BindingDB Entry DOI: 10.7270/Q2416VZC
					More data for this Ligand-Target Pair