Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50281077'   

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)	BDBM50281077 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:2:4:25:27.29,THB:35:34:25:27.29,28:27:25:34.4.5,36:34:25:27.29| Show InChI InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(39-24,23(33)34)25(35,22(31)32)20(38-24)21(30)36-4/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)/t14-,17-,18-,19-,20-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity measured against rat squalene synthase(SQS) enzyme				Bioorg Med Chem Lett 3: 2541-2546 (1993) Article DOI: 10.1016/S0960-894X(01)80713-7 BindingDB Entry DOI: 10.7270/Q26Q1XQP
					More data for this Ligand-Target Pair
Squalene synthase (Rattus norvegicus)	BDBM50281077 ((1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...) Show SMILES COC(=O)[C@H]1O[C@@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]([C@H](O)[C@H]2O)(C(O)=O)[C@]1(O)C(O)=O |TLB:2:4:25:27.29,THB:35:34:25:27.29,28:27:25:34.4.5,36:34:25:27.29| Show InChI InChI=1S/C26H32O13/c1-13(17(37-15(3)27)14(2)12-16-8-6-5-7-9-16)10-11-24-18(28)19(29)26(39-24,23(33)34)25(35,22(31)32)20(38-24)21(30)36-4/h5-9,14,17-20,28-29,35H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)/t14-,17-,18-,19-,20-,24+,25-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat squalene synthase				Bioorg Med Chem Lett 4: 1931-1936 (1994) Article DOI: 10.1016/S0960-894X(01)80537-0 BindingDB Entry DOI: 10.7270/Q2D50MW5
					More data for this Ligand-Target Pair