BDBM50029174 CHEMBL131973::N-(1-methylethyl)-3-[(3-prop-2-en-1-ylbiphenyl-4-yl)oxy]propan-1-amine::[3-(3-Allyl-biphenyl-4-yloxy)-propyl]-isopropyl-amine

SMILES: CC(C)NCCCOc1ccc(cc1CC=C)-c1ccccc1

InChI Key: InChIKey=CKIDETHAWPUGOQ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50029174   

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
Squalene synthetase (Rattus norvegicus)	BDBM50029174 (CHEMBL131973 | N-(1-methylethyl)-3-[(3-prop-2-en-1...) Show SMILES CC(C)NCCCOc1ccc(cc1CC=C)-c1ccccc1 Show InChI InChI=1S/C21H27NO/c1-4-9-20-16-19(18-10-6-5-7-11-18)12-13-21(20)23-15-8-14-22-17(2)3/h4-7,10-13,16-17,22H,1,8-9,14-15H2,2-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
Zeneca Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of rat microsomal squalene synthase				J Med Chem 38: 4157-60 (1995) BindingDB Entry DOI: 10.7270/Q21V5D0D
					More data for this Ligand-Target Pair