Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50154317'   

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))	BDBM50154317 ((S)-2-[3-(4-Sulfamoyl-phenyl)-thioureido]-propioni...) Show SMILES CNC(=O)COc1ccc(COC(=O)[C@H](C)NC(=S)Nc2ccc(cc2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C20H24N4O6S2/c1-13(23-20(31)24-15-5-9-17(10-6-15)32(21,27)28)19(26)30-11-14-3-7-16(8-4-14)29-12-18(25)22-2/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H2,21,27,28)(H2,23,24,31)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	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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