Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50259471'   

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))	BDBM50259471 (4-Benzoyl-1-(3-((4-hydroxyphenyl)diazenyl)phenyl)-...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)s1 |w:36.39| Show InChI InChI=1S/C31H22N8O5S2/c32-46(43,44)31-37-36-30(45-31)33-29(42)26-25(28(41)20-10-5-2-6-11-20)27(19-8-3-1-4-9-19)39(38-26)23-13-7-12-22(18-23)35-34-21-14-16-24(40)17-15-21/h1-18,40H,(H2,32,43,44)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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 2 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 2 (Homo sapiens (Human))	BDBM50259471 (4-Benzoyl-1-(3-((4-hydroxyphenyl)diazenyl)phenyl)-...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)s1 |w:36.39| Show InChI InChI=1S/C31H22N8O5S2/c32-46(43,44)31-37-36-30(45-31)33-29(42)26-25(28(41)20-10-5-2-6-11-20)27(19-8-3-1-4-9-19)39(38-26)23-13-7-12-22(18-23)35-34-21-14-16-24(40)17-15-21/h1-18,40H,(H2,32,43,44)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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 2 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 2 (Homo sapiens (Human))	BDBM50259471 (4-Benzoyl-1-(3-((4-hydroxyphenyl)diazenyl)phenyl)-...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)N=Nc2ccc(O)cc2)s1 |w:36.39| Show InChI InChI=1S/C31H22N8O5S2/c32-46(43,44)31-37-36-30(45-31)33-29(42)26-25(28(41)20-10-5-2-6-11-20)27(19-8-3-1-4-9-19)39(38-26)23-13-7-12-22(18-23)35-34-21-14-16-24(40)17-15-21/h1-18,40H,(H2,32,43,44)(H,33,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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 2 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