Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50154332'   

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))	BDBM50154332 ((S)-4-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...) Show SMILES CNC(=O)COC(=O)[C@H](CC(C)C)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C16H24N4O5S2/c1-10(2)8-13(15(22)25-9-14(21)18-3)20-16(26)19-11-4-6-12(7-5-11)27(17,23)24/h4-7,10,13H,8-9H2,1-3H3,(H,18,21)(H2,17,23,24)(H2,19,20,26)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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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