Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50292067'   

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))	BDBM50292067 (([2-(Carboxymethyl-{[2-(5-sulfamoyl-[1,3,4]thiadia...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)CC(=O)NCCC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1 Show InChI InChI=1S/C20H30N12O12S4/c21-47(41,42)19-29-27-17(45-19)25-11(33)1-3-23-13(35)7-31(9-15(37)38)5-6-32(10-16(39)40)8-14(36)24-4-2-12(34)26-18-28-30-20(46-18)48(22,43)44/h1-10H2,(H,23,35)(H,24,36)(H,37,38)(H,39,40)(H2,21,41,42)(H2,22,43,44)(H,25,27,33)(H,26,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
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