BDBM50339922 CHEMBL1761658::trans-rac-2-(1-(2-(7-chloro-5-(2-chlorophenyl)-1-isobutyl-2-oxo-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)acetyl)piperidin-4-yl)acetic acid

SMILES: CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(=O)N2CCC(CC(O)=O)CC2)C1=O)c1ccccc1Cl

InChI Key: InChIKey=SJYICAYPBJXIFV-JWQCQUIFSA-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 = 50339922   

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))	BDBM50339922 (CHEMBL1761658 | trans-rac-2-(1-(2-(7-chloro-5-(2-c...) Show SMILES CC(C)C[C@@H]1c2ccc(Cl)cc2[C@H](CN(CC(=O)N2CCC(CC(O)=O)CC2)C1=O)c1ccccc1Cl |r| Show InChI InChI=1S/C29H34Cl2N2O4/c1-18(2)13-24-21-8-7-20(30)15-23(21)25(22-5-3-4-6-26(22)31)16-33(29(24)37)17-27(34)32-11-9-19(10-12-32)14-28(35)36/h3-8,15,18-19,24-25H,9-14,16-17H2,1-2H3,(H,35,36)/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	1.40E+3	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