BDBM50285435 Benzooxazol-2-yl-{5-[4,5-bis-(4-dimethylamino-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-ethyl-amine::CHEMBL52006

SMILES: CCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)c1nc2ccccc2o1

InChI Key: InChIKey=HGHJGGWOLLBWQG-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 = 50285435   

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
Acyl coenzyme A:cholesterol acyltransferase 1 (Mus musculus)	BDBM50285435 (Benzooxazol-2-yl-{5-[4,5-bis-(4-dimethylamino-phen...) Show SMILES CCN(CCCCCSc1nc(c([nH]1)-c1ccc(cc1)N(C)C)-c1ccc(cc1)N(C)C)c1nc2ccccc2o1 Show InChI InChI=1S/C33H40N6OS/c1-6-39(33-34-28-12-8-9-13-29(28)40-33)22-10-7-11-23-41-32-35-30(24-14-18-26(19-15-24)37(2)3)31(36-32)25-16-20-27(21-17-25)38(4)5/h8-9,12-21H,6-7,10-11,22-23H2,1-5H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cell culture				Bioorg Med Chem Lett 5: 177-180 (1995) Article DOI: 10.1016/0960-894X(95)00003-C BindingDB Entry DOI: 10.7270/Q2PG1RQJ
					More data for this Ligand-Target Pair