Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sorbitol dehydrogenase' and Ligand = 'BDBM50108749'   

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
Sorbitol dehydrogenase (Homo sapiens (Human))	BDBM50108749 (1-{4-[4-(4,6-Diethyl-pyrimidin-2-yl)-piperazin-1-y...) Show SMILES CCc1cc(CC)nc(n1)N1CCN(CC1)c1ccnc(n1)[C@@H](C)O Show InChI InChI=1S/C18H26N6O/c1-4-14-12-15(5-2)21-18(20-14)24-10-8-23(9-11-24)16-6-7-19-17(22-16)13(3)25/h6-7,12-13,25H,4-5,8-11H2,1-3H3/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Concentration required for 50% in vitro inhibition of recombinant human sorbitol dehydrogenase (h-SDH)				J Med Chem 45: 511-28 (2002) BindingDB Entry DOI: 10.7270/Q2R210QX
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