Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50037291'   

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)	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Inhibition of juvenile male rat liver microsomal squalene synthase				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair
Squalene synthase (Homo sapiens (Human))	BDBM50037291 ((1S,3S,4S,5R,6R,7R)-6-((4R,6S)-4,6-Dimethyl-octano...) Show SMILES CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O Show InChI InChI=1S/C33H48O12/c1-6-19(2)16-20(3)12-13-24(34)43-26-25(35)31(15-14-21(4)17-22(5)18-23-10-8-7-9-11-23)44-27(28(36)37)32(42,29(38)39)33(26,45-31)30(40)41/h7-11,19-22,25-27,35,42H,6,12-18H2,1-5H3,(H,36,37)(H,38,39)(H,40,41)/t19-,20+,21?,22+,25+,26+,27+,31-,32+,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research and Development Ltd. Curated by ChEMBL					Assay Description Compound was tested for in vitro inhibitory activity against Candida albicans 2005E microsomal SQS				J Med Chem 37: 3274-81 (1994) BindingDB Entry DOI: 10.7270/Q2X06633
					More data for this Ligand-Target Pair