BDBM50339917 1-(2-((1R,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-isobutyl-2-oxo-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)acetyl)piperidine-4-carboxylic acid::CHEMBL1761664

SMILES: COc1cccc([C@@H]2CN(CC(=O)N3CCC(CC3)C(O)=O)C(=O)[C@H](CC(C)C)c3ccc(Cl)cc23)c1OC

InChI Key: InChIKey=WMJMBQSUCFTOQK-RPBOFIJWSA-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 = 50339917   

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 (Homo sapiens (Human))	BDBM50339917 (1-(2-((1R,5R)-7-chloro-5-(2,3-dimethoxyphenyl)-1-i...) Show SMILES COc1cccc([C@@H]2CN(CC(=O)N3CCC(CC3)C(O)=O)C(=O)[C@H](CC(C)C)c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C30H37ClN2O6/c1-18(2)14-24-21-9-8-20(31)15-23(21)25(22-6-5-7-26(38-3)28(22)39-4)16-33(29(24)35)17-27(34)32-12-10-19(11-13-32)30(36)37/h5-9,15,18-19,24-25H,10-14,16-17H2,1-4H3,(H,36,37)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Bayer Pharma AG Curated by ChEMBL					Assay Description Inhibition of squalene synthase assessed as conversion of [3H]farnesyl phosphate to [3H]squalene after 10 mins by scintillation counting				Bioorg Med Chem Lett 21: 2554-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.004 BindingDB Entry DOI: 10.7270/Q22Z15VJ
					More data for this Ligand-Target Pair