Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50154331'   

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))	BDBM50154331 ((S)-3-(1H-Indol-3-yl)-2-[3-(4-sulfamoyl-phenyl)-th...) Show SMILES CNC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H23N5O5S2/c1-23-19(27)12-31-20(28)18(10-13-11-24-17-5-3-2-4-16(13)17)26-21(32)25-14-6-8-15(9-7-14)33(22,29)30/h2-9,11,18,24H,10,12H2,1H3,(H,23,27)(H2,22,29,30)(H2,25,26,32)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florence Curated by ChEMBL					Assay Description Inhibitory activity against human Carbonic anhydrase II				J Med Chem 47: 5224-9 (2004) Article DOI: 10.1021/jm049692i BindingDB Entry DOI: 10.7270/Q24F1RHJ
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