BDBM50396753 CHEMBL2172349

SMILES: COc1cccc(CCN2CCc3cc(O)c(OC)cc3C2)c1

InChI Key: InChIKey=XYHOSURPOZRNRC-UHFFFAOYSA-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 = 50396753   

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
Anti-estrogen binding site (AEBS) (Homo sapiens (Human))	BDBM50396753 (CHEMBL2172349) Show SMILES COc1cccc(CCN2CCc3cc(O)c(OC)cc3C2)c1 Show InChI InChI=1S/C19H23NO3/c1-22-17-5-3-4-14(10-17)6-8-20-9-7-15-11-18(21)19(23-2)12-16(15)13-20/h3-5,10-12,21H,6-9,13H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-Universit£t Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...				J Med Chem 55: 7614-22 (2012) Article DOI: 10.1021/jm3006096 BindingDB Entry DOI: 10.7270/Q2W95B9V
					More data for this Ligand-Target Pair