BDBM50029176 CHEMBL334964::N-[3-Benzyl-4-(2-hydroxy-3-isopropylamino-propoxy)-phenyl]-propionamide

SMILES: CCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(Cc2ccccc2)c1

InChI Key: InChIKey=CCFQAVYEIAXPFW-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 = 50029176   

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 synthase (Rattus norvegicus)	BDBM50029176 (CHEMBL334964 | N-[3-Benzyl-4-(2-hydroxy-3-isopropy...) Show SMILES CCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(Cc2ccccc2)c1 Show InChI InChI=1S/C22H30N2O3/c1-4-22(26)24-19-10-11-21(27-15-20(25)14-23-16(2)3)18(13-19)12-17-8-6-5-7-9-17/h5-11,13,16,20,23,25H,4,12,14-15H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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