Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50004959'   

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))	BDBM50004959 (CHEMBL2392429) Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)CCC2=O)cc1 Show InChI InChI=1S/C17H15N3O5S/c18-26(24,25)14-6-4-12(5-7-14)19-17(23)11-2-1-3-13(10-11)20-15(21)8-9-16(20)22/h1-7,10H,8-9H2,(H,19,23)(H2,18,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of full length carbonic anhydrase-2 in human erythrocytes				Bioorg Med Chem Lett 23: 3496-9 (2013) Article DOI: 10.1016/j.bmcl.2013.04.048 BindingDB Entry DOI: 10.7270/Q2GH9KFD
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