Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50258588'   

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))	BDBM50258588 (1-(3-(2-fluorophenyl)-5-sulfamoyl-1H-indole-2-carb...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccccc2F)S(N)(=O)=O)c(C)c1 |(24.35,-15,;22.81,-15.01,;22.03,-13.67,;20.49,-13.68,;19.72,-12.34,;19.73,-15,;18.19,-15,;17.42,-16.34,;18.19,-17.67,;15.88,-16.34,;14.97,-17.59,;13.5,-17.12,;12.16,-17.89,;10.83,-17.12,;10.83,-15.57,;12.16,-14.8,;13.5,-15.56,;14.97,-15.08,;15.45,-13.62,;16.95,-13.3,;17.43,-11.84,;16.4,-10.69,;14.89,-11.02,;14.42,-12.48,;12.91,-12.81,;9.5,-14.8,;8.16,-14.03,;10.27,-13.47,;8.73,-16.14,;20.5,-16.34,;19.73,-17.67,;22.04,-16.34,)| Show InChI InChI=1S/C23H21FN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(17-6-4-5-7-19(17)24)18-12-16(32(25,30)31)8-9-20(18)26-22/h4-12H,1-3H3,(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	6.90	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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