Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50388348'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Squalene synthase (Rattus norvegicus)	BDBM50388348 (CHEMBL2057952) Show SMILES COc1cccc([C@H]2O[C@H](CCn3cc(COC(C)(C)C(O)=O)nn3)c3cccn3-c3ccc(Cl)cc23)c1OC |r| Show InChI InChI=1S/C29H31ClN4O6/c1-29(2,28(35)36)39-17-19-16-33(32-31-19)14-12-24-23-8-6-13-34(23)22-11-10-18(30)15-21(22)26(40-24)20-7-5-9-25(37-3)27(20)38-4/h5-11,13,15-16,24,26H,12,14,17H2,1-4H3,(H,35,36)/t24-,26-/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	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Sankyo Co. Ltd Curated by ChEMBL					Assay Description Inhibition of squalene synthase in rat hepatic cells				Bioorg Med Chem 20: 3072-93 (2012) Article DOI: 10.1016/j.bmc.2012.02.054 BindingDB Entry DOI: 10.7270/Q2B8595B
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