Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50154321'   

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))	BDBM50154321 ((S)-4-Methylsulfanyl-2-[3-(4-sulfamoyl-phenyl)-thi...) Show SMILES CNC(=O)COC(=O)[C@H](CCSC)NC(=S)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H22N4O5S3/c1-17-13(20)9-24-14(21)12(7-8-26-2)19-15(25)18-10-3-5-11(6-4-10)27(16,22)23/h3-6,12H,7-9H2,1-2H3,(H,17,20)(H2,16,22,23)(H2,18,19,25)/t12-/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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