BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50051874'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Squalene synthase


(Rattus norvegicus)		BDBM50051874
PNG
((1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-...)
Show SMILES CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CN(C)C)O2)C(O)=O
Show InChI InChI=1S/C37H53NO12/c1-9-22(2)19-23(3)15-16-29(40)48-32-31(41)35(49-28(21-38(7)8)36(46,33(42)43)37(32,50-35)34(44)45)18-17-24(4)30(47-26(6)39)25(5)20-27-13-11-10-12-14-27/h10-16,22-23,25,28,30-32,41,46H,4,9,17-21H2,1-3,5-8H3,(H,42,43)(H,44,45)/b16-15+/t22-,23+,25+,28+,30+,31+,32+,35-,36+,37-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Glaxo Wellcome Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Squalene synthase from rats

J Med Chem 39: 1413-22 (1996)


Article DOI: 10.1021/jm950893j
BindingDB Entry DOI: 10.7270/Q2Z0377G
More data for this
Ligand-Target Pair