BDBM50442118 CHEMBL2441087

SMILES: COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(CF)n3-c3ccc(Cl)cc23)c1OC

InChI Key: InChIKey=VYODEMHPMQHSGG-IFMALSPDSA-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 = 50442118   

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)	BDBM50442118 (CHEMBL2441087) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(CF)n3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C25H23ClFN5O5/c1-35-19-5-3-4-16(23(19)36-2)22-17-10-15(26)6-7-18(17)32-21(11-27)29-30-24(32)20(37-22)8-9-31-13-14(12-28-31)25(33)34/h3-7,10,12-13,20,22H,8-9,11H2,1-2H3,(H,33,34)/t20-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of rat hepatic microsomal squalene synthase using [3H]FPP as substrate after by scintillation spectrophotometry				ACS Med Chem Lett 4: 932-6 (2013) Article DOI: 10.1021/ml400151c BindingDB Entry DOI: 10.7270/Q2J67JCV
					More data for this Ligand-Target Pair