BDBM50172374 2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]-chroman::CHEMBL197472

SMILES: COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC

InChI Key: InChIKey=YDNOOMPTRZAXFS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50172374   

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
NADH-ubiquinone oxidoreductase MLRQ subunit (Homo sapiens (Human))	BDBM50172374 (2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...) Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH-ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair
NADH-ubiquinone oxidoreductase MLRQ subunit (Homo sapiens (Human))	BDBM50172374 (2,2-Dimethyl-6-[1-(3,4,5-trimethoxy-benzyl)-vinyl]...) Show SMILES COc1cc(CC(=C)c2ccc3OC(C)(C)CCc3c2)cc(OC)c1OC Show InChI InChI=1S/C23H28O4/c1-15(11-16-12-20(24-4)22(26-6)21(13-16)25-5)17-7-8-19-18(14-17)9-10-23(2,3)27-19/h7-8,12-14H,1,9-11H2,2-6H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against NADH ubiquinone oxidoreductase				J Med Chem 48: 5613-38 (2005) Article DOI: 10.1021/jm050524f BindingDB Entry DOI: 10.7270/Q2V988V1
					More data for this Ligand-Target Pair