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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acyl-CoA:cholesterol acyltransferase' and Ligand = 'BDBM50228478'   
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
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)		BDBM50228478
PNG
(CHEMBL328228)
Show SMILES COc1c2occ(F)c2c(OC)c2c1oc(CN1CCC(CCC3CCN(Cc4cc(=O)c5c(OC)c6c(F)coc6c(OC)c5o4)CC3)CC1)cc2=O
Show InChI InChI=1S/C40H42F2N2O10/c1-47-33-29-25(41)19-51-35(29)39(49-3)37-31(33)27(45)15-23(53-37)17-43-11-7-21(8-12-43)5-6-22-9-13-44(14-10-22)18-24-16-28(46)32-34(48-2)30-26(42)20-52-36(30)40(50-4)38(32)54-24/h15-16,19-22H,5-14,17-18H2,1-4H3
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Similars
PubMed
n/an/a<1.33E+4n/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase

J Med Chem 33: 2685-7 (1990)


BindingDB Entry DOI: 10.7270/Q20867JQ
More data for this
Ligand-Target Pair