Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50173870'   

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))	BDBM50173870 (3-Benzyloxy-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-be...) Show SMILES NS(=O)(=O)c1ccc2C(CS(=O)(=O)c2c1)OCc1ccccc1 Show InChI InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method				Bioorg Med Chem Lett 15: 4872-6 (2005) Article DOI: 10.1016/j.bmcl.2005.04.078 BindingDB Entry DOI: 10.7270/Q2F18Z86
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