Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50094834'   

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))	BDBM50094834 (CHEMBL148167 | {3-(1H-Imidazol-4-yl)-2-[3-(4-sulfa...) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NC(Cc2cnc[nH]2)C(=O)NCC(O)=O)cc1 Show InChI InChI=1S/C15H18N6O5S2/c16-28(25,26)11-3-1-9(2-4-11)20-15(27)21-12(5-10-6-17-8-19-10)14(24)18-7-13(22)23/h1-4,6,8,12H,5,7H2,(H,17,19)(H,18,24)(H,22,23)(H2,16,25,26)(H2,20,21,27)	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 recombinant carbonic anhydrase II				J Med Chem 43: 4884-92 (2000) BindingDB Entry DOI: 10.7270/Q22B8ZQQ
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