BDBM50280474 6-isopropenyl-16,17-dimethoxy-2,7,20-trioxahexacyclo[11.8.1.01,13.03,11.04,8.014,19]docosa-3(11),4(8),9,14(19),15,17-hexaen-12-one; 6-isopropenyl-16,17-dimethoxy-2,7,20-trioxahexacyclo[11.8.1.01,13.03,11.04,8.014,19]docosa-3(11),4(8),9,14(19),15,17-hexaen-12-one::CHEMBL357929

SMILES: COc1cc2OCC34CC3(C(=O)c3ccc5O[C@H](Cc5c3O4)C(C)=C)c2cc1OC

InChI Key: InChIKey=BXHJYBODBXBBCL-ZPSAWSNLSA-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 = 50280474   

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))	BDBM50280474 (6-isopropenyl-16,17-dimethoxy-2,7,20-trioxahexacyc...) Show SMILES COc1cc2OCC34CC3(C(=O)c3ccc5O[C@H](Cc5c3O4)C(C)=C)c2cc1OC Show InChI InChI=1S/C24H22O6/c1-12(2)17-7-14-16(29-17)6-5-13-21(14)30-23-10-24(23,22(13)25)15-8-19(26-3)20(27-4)9-18(15)28-11-23/h5-6,8-9,17H,1,7,10-11H2,2-4H3/t17-,23?,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	80	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