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SMILES: Clc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1

InChI Key: InChIKey=DVWKMXATDPPCDF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50447007   
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
Phosphatidylcholine:ceramide cholinephosphotransferase 2


(Homo sapiens (Human))		BDBM50447007
PNG
(CHEMBL3116080)
Show SMILES Clc1ccccc1NC(C#N)c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C21H17ClN2O/c22-18-11-5-6-12-19(18)24-20(14-23)17-10-4-7-13-21(17)25-15-16-8-2-1-3-9-16/h1-13,20,24H,15H2
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Article
PubMed
n/an/a 1.58E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of SMS2 (unknown origin) expressed in H5 insect cells using C6-NBD-Cer as substrate after 1 hr

Eur J Med Chem 73: 1-7 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.002
BindingDB Entry DOI: 10.7270/Q2805430
More data for this
Ligand-Target Pair