Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50372658'   

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))	BDBM50372658 (CHEMBL409306) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cn(nn1)[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O Show InChI InChI=1S/C13H16N4O6S/c14-24(21,22)8-3-1-7(2-4-8)9-5-17(16-15-9)13-12(20)11(19)10(18)6-23-13/h1-5,10-13,18-20H,6H2,(H2,14,21,22)/t10-,11-,12+,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Griffith University Curated by ChEMBL					Assay Description Inhibition of human cloned CA2 by CO2 hydration method				J Med Chem 51: 1945-53 (2008) Article DOI: 10.1021/jm701426t BindingDB Entry DOI: 10.7270/Q28P61CM
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