Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50258716'   

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))	BDBM50258716 (1-({[5-(Aminosulfonyl)-3-(4-bromophenyl)-1H-indol-...) Show SMILES Cc1ccc(cc1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C Show InChI InChI=1S/C24H24N4O3S/c1-14-5-7-18(8-6-14)22-20-13-19(32(25,30)31)9-10-21(20)26-23(22)24(29)27-28-16(3)11-15(2)12-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istanbul University Curated by ChEMBL					Assay Description Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay				J Med Chem 52: 4063-7 (2009) Article DOI: 10.1021/jm9004016 BindingDB Entry DOI: 10.7270/Q2736QTJ
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