Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50154329'   

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))	BDBM50154329 ((S)-3-Methyl-2-[3-(4-sulfamoyl-phenyl)-thioureido]...) Show SMILES CNC(=O)COC(=O)[C@@H](NC(=S)Nc1ccc(cc1)S(N)(=O)=O)C(C)C Show InChI InChI=1S/C15H22N4O5S2/c1-9(2)13(14(21)24-8-12(20)17-3)19-15(25)18-10-4-6-11(7-5-10)26(16,22)23/h4-7,9,13H,8H2,1-3H3,(H,17,20)(H2,16,22,23)(H2,18,19,25)/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	5	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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