Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 8269   

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))	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	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					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	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar 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 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	5.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar 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 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238310 (2-((dimethylamino)methyl)-4,5-dimethylphenol (2a)) Show SMILES CN(C)Cc1cc(C)c(C)cc1O Show InChI InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)11(13)6-9(8)2/h5-6,13H,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238309 (3,4-Dimethylphenol (1)) Show SMILES Cc1ccc(O)cc1C Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM238309 (3,4-Dimethylphenol (1)) Show SMILES Cc1ccc(O)cc1C Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238311 (2-((dibenzylamino)methyl)-4,5-dimethylphenol (2e)) Show SMILES Cc1cc(O)c(CN(Cc2ccccc2)Cc2ccccc2)cc1C Show InChI InChI=1S/C23H25NO/c1-18-13-22(23(25)14-19(18)2)17-24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,25H,15-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University					Assay Description The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...				J Enzyme Inhib Med Chem 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238311 (2-((dibenzylamino)methyl)-4,5-dimethylphenol (2e)) Show SMILES Cc1cc(O)c(CN(Cc2ccccc2)Cc2ccccc2)cc1C Show InChI InChI=1S/C23H25NO/c1-18-13-22(23(25)14-19(18)2)17-24(15-20-9-5-3-6-10-20)16-21-11-7-4-8-12-21/h3-14,25H,15-17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40E+5	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar 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 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238310 (2-((dimethylamino)methyl)-4,5-dimethylphenol (2a)) Show SMILES CN(C)Cc1cc(C)c(C)cc1O Show InChI InChI=1S/C11H17NO/c1-8-5-10(7-12(3)4)11(13)6-9(8)2/h5-6,13H,7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80E+5	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar 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 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM238309 (3,4-Dimethylphenol (1)) Show SMILES Cc1ccc(O)cc1C Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	9.30E+5	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar 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 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM238309 (3,4-Dimethylphenol (1)) Show SMILES Cc1ccc(O)cc1C Show InChI InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.03E+6	n/a	n/a	n/a	n/a	7.4	25
Dumlupinar 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 28: 337-42 (2013) Article DOI: 10.3109/14756366.2012.693919 BindingDB Entry DOI: 10.7270/Q2KW5DZ8
					More data for this Ligand-Target Pair