Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50259374'   

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 1 (Homo sapiens (Human))	BDBM50259374 (4-Benzoyl-1-(3-cyanophenyl)-5-phenyl-N-(5-sulfamoy...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)C#N)s1 Show InChI InChI=1S/C26H17N7O4S2/c27-15-16-8-7-13-19(14-16)33-22(17-9-3-1-4-10-17)20(23(34)18-11-5-2-6-12-18)21(32-33)24(35)29-25-30-31-26(38-25)39(28,36)37/h1-14H,(H2,28,36,37)(H,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1 by Lineweaver-Burk plot				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259374 (4-Benzoyl-1-(3-cyanophenyl)-5-phenyl-N-(5-sulfamoy...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)C#N)s1 Show InChI InChI=1S/C26H17N7O4S2/c27-15-16-8-7-13-19(14-16)33-22(17-9-3-1-4-10-17)20(23(34)18-11-5-2-6-12-18)21(32-33)24(35)29-25-30-31-26(38-25)39(28,36)37/h1-14H,(H2,28,36,37)(H,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of CO2-hydratase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50259374 (4-Benzoyl-1-(3-cyanophenyl)-5-phenyl-N-(5-sulfamoy...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)C#N)s1 Show InChI InChI=1S/C26H17N7O4S2/c27-15-16-8-7-13-19(14-16)33-22(17-9-3-1-4-10-17)20(23(34)18-11-5-2-6-12-18)21(32-33)24(35)29-25-30-31-26(38-25)39(28,36)37/h1-14H,(H2,28,36,37)(H,29,30,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Dumlupinar University Curated by ChEMBL					Assay Description Inhibition of esterase activity of human carbonic anhydrase 1 by CO2 hydration method				Bioorg Med Chem 17: 3295-301 (2009) Article DOI: 10.1016/j.bmc.2009.03.048 BindingDB Entry DOI: 10.7270/Q2DZ087F
					More data for this Ligand-Target Pair