Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50259368'   

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))	BDBM50259368 (4-Benzoyl-1-(3-(2-(1,3-dioxo-1-phenylbutan-2-ylide...) Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:4.4| Show InChI InChI=1S/C35H26N8O6S2/c1-21(44)28(32(46)24-16-9-4-10-17-24)39-38-25-18-11-19-26(20-25)43-30(22-12-5-2-6-13-22)27(31(45)23-14-7-3-8-15-23)29(42-43)33(47)37-34-40-41-35(50-34)51(36,48)49/h2-20,38H,1H3,(H2,36,48,49)(H,37,40,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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))	BDBM50259368 (4-Benzoyl-1-(3-(2-(1,3-dioxo-1-phenylbutan-2-ylide...) Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:4.4| Show InChI InChI=1S/C35H26N8O6S2/c1-21(44)28(32(46)24-16-9-4-10-17-24)39-38-25-18-11-19-26(20-25)43-30(22-12-5-2-6-13-22)27(31(45)23-14-7-3-8-15-23)29(42-43)33(47)37-34-40-41-35(50-34)51(36,48)49/h2-20,38H,1H3,(H2,36,48,49)(H,37,40,47)	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	550	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))	BDBM50259368 (4-Benzoyl-1-(3-(2-(1,3-dioxo-1-phenylbutan-2-ylide...) Show SMILES CC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1)C(=O)c1ccccc1 |w:4.4| Show InChI InChI=1S/C35H26N8O6S2/c1-21(44)28(32(46)24-16-9-4-10-17-24)39-38-25-18-11-19-26(20-25)43-30(22-12-5-2-6-13-22)27(31(45)23-14-7-3-8-15-23)29(42-43)33(47)37-34-40-41-35(50-34)51(36,48)49/h2-20,38H,1H3,(H2,36,48,49)(H,37,40,47)	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	590	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