Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NADH-ubiquinone oxidoreductase chain 4' and Ligand = 'BDBM50280475'   

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
NADH-ubiquinone oxidoreductase chain 4 (Homo sapiens (Human))	BDBM50280475 ((2R,6aS,12aS)-2-Isopropenyl-8,9-dimethoxy-6a-methy...) Show SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)=C Show InChI InChI=1S/C24H24O6/c1-12(2)17-8-14-16(29-17)7-6-13-22(14)30-21-11-28-18-10-20(27-5)19(26-4)9-15(18)24(21,3)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3/t17-,21-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the inhibition of NADH dehydrogenase				Bioorg Med Chem Lett 2: 593-596 (1992) Article DOI: 10.1016/S0960-894X(01)81204-X BindingDB Entry DOI: 10.7270/Q2H70G9H
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