BDBM50366294 CHEMBL1794895

SMILES: COc1cc2OC[C@@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)=C

InChI Key: InChIKey=SLHKIXGZXNYDJB-GQOCTPOGSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366294   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mitochondrial complex I (NADH dehydrogenase) (Homo sapiens (Human))	BDBM50366294 (CHEMBL1794895) 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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	360	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
					More data for this Ligand-Target Pair