Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50278151'   

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))	BDBM50278151 ((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6...) Show SMILES CC(=O)O[C@H]1[C@@H](CO)O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C17H22N4O9S/c1-9(23)29-16-13(7-22)30-17(15(25)14(16)24)28-8-10-6-21(20-19-10)11-2-4-12(5-3-11)31(18,26)27/h2-6,13-17,22,24-25H,7-8H2,1H3,(H2,18,26,27)/t13-,14-,15-,16+,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	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 recombinant CA2 by stopped flow CO2 hydration assay				Bioorg Med Chem Lett 19: 2273-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.086 BindingDB Entry DOI: 10.7270/Q2QF8TSW
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