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BDBM50481334 CHEMBL596130

SMILES: Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(C)c2o1)C#N

InChI Key: InChIKey=JJEWIXRNUSUVRS-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50481334   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Choline/ethanolaminephosphotransferase 1


(Homo sapiens)		BDBM50481334
PNG
(CHEMBL596130)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(C)c2o1)C#N
Show InChI InChI=1S/C24H19N3O3/c1-15-5-3-4-6-21(15)29-14-22(28)26-19-9-7-18(8-10-19)24-27-20-12-17(13-25)11-16(2)23(20)30-24/h3-12H,14H2,1-2H3,(H,26,28)
UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
inhibition of human CEPT assessed as cholesteryl ester transfer by fluorescence transfer assay

Bioorg Med Chem Lett 20: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.099
BindingDB Entry DOI: 10.7270/Q2FJ2KKK
More data for this
Ligand-Target Pair