BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50038143'   
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)		BDBM50038143
PNG
((6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-...)
Show SMILES CC(C)OC(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O
Show InChI InChI=1S/C29H36O15/c1-14(2)40-26(38)42-21-20(31)27(43-22(23(32)33)28(39,24(34)35)29(21,44-27)25(36)37)12-11-15(3)19(41-17(5)30)16(4)13-18-9-7-6-8-10-18/h6-10,14,16,19-22,31,39H,3,11-13H2,1-2,4-5H3,(H,32,33)(H,34,35)(H,36,37)/t16-,19-,20-,21-,22?,27?,28?,29?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for inhibition against squalene synthase enzyme in rat liver

J Med Chem 37: 4031-51 (1994)


BindingDB Entry DOI: 10.7270/Q2PC31F0
More data for this
Ligand-Target Pair