BDBM50442120 CHEMBL2441085

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

InChI Key: InChIKey=PYSRBPQJQUYPEB-FGZHOGPDSA-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 = 50442120   

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)	BDBM50442120 (CHEMBL2441085) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(cn3)C(O)=O)c3nnc(C)n3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C25H24ClN5O5/c1-14-28-29-24-21(9-10-30-13-15(12-27-30)25(32)33)36-22(17-5-4-6-20(34-2)23(17)35-3)18-11-16(26)7-8-19(18)31(14)24/h4-8,11-13,21-22H,9-10H2,1-3H3,(H,32,33)/t21-,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	36	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
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