Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50058949'   

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)	BDBM50058949 ((1S,2S,3S,4S)-3,4-Bis-[ethyl-(4-phenoxy-benzyl)-ca...) Show SMILES CCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]1C(=O)N(CC)Cc1ccc(Oc2ccccc2)cc1)C(O)=O)C(O)=O Show InChI InChI=1S/C38H38N2O8/c1-3-39(23-25-15-19-29(20-16-25)47-27-11-7-5-8-12-27)35(41)31-32(34(38(45)46)33(31)37(43)44)36(42)40(4-2)24-26-17-21-30(22-18-26)48-28-13-9-6-10-14-28/h5-22,31-34H,3-4,23-24H2,1-2H3,(H,43,44)(H,45,46)/t31-,32-,33-,34-/m0/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Squalene Synthase				J Med Chem 40: 2123-5 (1997) Article DOI: 10.1021/jm970058x BindingDB Entry DOI: 10.7270/Q2V9875N
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