Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50329835'   

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))	BDBM50329835 (5-{[(5-Bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}...) Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C15H11BrClN3O3S2/c16-9-2-4-11-12(6-9)20-15(19-11)24-7-13(21)8-1-3-10(17)14(5-8)25(18,22)23/h1-6H,7H2,(H,19,20)(H2,18,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
Institute of Biotechnology Curated by ChEMBL					Assay Description Binding affinity to human recombinant carbonic anhydrase 2 by thermal shift assay				Bioorg Med Chem 18: 7357-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.016 BindingDB Entry DOI: 10.7270/Q21V5F6H
					More data for this Ligand-Target Pair				3D Structure (docked)