Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50259473'   

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))	BDBM50259473 (4-Benzoyl-1-(2-methyl-1-(2-oxopropyl)-1H-indol-4-y...) Show SMILES CC(=O)Cn1c(C)cc2c(cccc12)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C31H25N7O5S2/c1-18-16-22-23(37(18)17-19(2)39)14-9-15-24(22)38-27(20-10-5-3-6-11-20)25(28(40)21-12-7-4-8-13-21)26(36-38)29(41)33-30-34-35-31(44-30)45(32,42)43/h3-16H,17H2,1-2H3,(H2,32,42,43)(H,33,34,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	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))	BDBM50259473 (4-Benzoyl-1-(2-methyl-1-(2-oxopropyl)-1H-indol-4-y...) Show SMILES CC(=O)Cn1c(C)cc2c(cccc12)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C31H25N7O5S2/c1-18-16-22-23(37(18)17-19(2)39)14-9-15-24(22)38-27(20-10-5-3-6-11-20)25(28(40)21-12-7-4-8-13-21)26(36-38)29(41)33-30-34-35-31(44-30)45(32,42)43/h3-16H,17H2,1-2H3,(H2,32,42,43)(H,33,34,41)	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	100	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))	BDBM50259473 (4-Benzoyl-1-(2-methyl-1-(2-oxopropyl)-1H-indol-4-y...) Show SMILES CC(=O)Cn1c(C)cc2c(cccc12)-n1nc(C(=O)Nc2nnc(s2)S(N)(=O)=O)c(C(=O)c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C31H25N7O5S2/c1-18-16-22-23(37(18)17-19(2)39)14-9-15-24(22)38-27(20-10-5-3-6-11-20)25(28(40)21-12-7-4-8-13-21)26(36-38)29(41)33-30-34-35-31(44-30)45(32,42)43/h3-16H,17H2,1-2H3,(H2,32,42,43)(H,33,34,41)	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	320	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