Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8198   

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 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	48	-41.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	380	-36.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					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	420	-36.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	440	-36.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM236511 (CA inhibitor, 6) Show SMILES NC1Cc2ccc(Br)cc2C1 Show InChI InChI=1S/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	580	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM236510 (CA inhibitor, 5) Show SMILES NC1Cc2cc(Br)c(Br)cc2C1 Show InChI InChI=1S/C9H9Br2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	780	-34.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	970	-34.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 6 (Homo sapiens (Human))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.15E+3	-33.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					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	3.64E+4	-25.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM81195 ((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...) Show SMILES NC1CCc2cc(O)c(O)cc2C1 Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.11E+4	-25.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50028970 (6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...) Show SMILES NC1CCc2c(C1)ccc(O)c2O Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.51E+4	-24.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM236511 (CA inhibitor, 6) Show SMILES NC1Cc2ccc(Br)cc2C1 Show InChI InChI=1S/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.43E+5	-21.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM236511 (CA inhibitor, 6) Show SMILES NC1Cc2ccc(Br)cc2C1 Show InChI InChI=1S/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.61E+5	-21.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM236510 (CA inhibitor, 5) Show SMILES NC1Cc2cc(Br)c(Br)cc2C1 Show InChI InChI=1S/C9H9Br2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.63E+5	-19.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM236510 (CA inhibitor, 5) Show SMILES NC1Cc2cc(Br)c(Br)cc2C1 Show InChI InChI=1S/C9H9Br2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+5	-19.0	n/a	n/a	n/a	n/a	n/a	7.4	25
Agri Ibrahim Çeçen 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 27: 365-9 (2012) Article DOI: 10.3109/14756366.2011.591290 BindingDB Entry DOI: 10.7270/Q2RV0MK4
					More data for this Ligand-Target Pair