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SMILES: Cc1cccc(C)c1COc1ccccc1-c1nc2cccnc2o1

InChI Key: InChIKey=KBDRPAPKKQQNTF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50254229   
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))		BDBM50254229
PNG
(CHEMBL4092156)
Show SMILES Cc1cccc(C)c1COc1ccccc1-c1nc2cccnc2o1
Show InChI InChI=1S/C21H18N2O2/c1-14-7-5-8-15(2)17(14)13-24-19-11-4-3-9-16(19)20-23-18-10-6-12-22-21(18)25-20/h3-12H,13H2,1-2H3
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Article
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Department of Medicinal Chemistry, School of Pharmacy, Fudan University, No. 826, Zhangheng Rd., Shanghai 201203, China.

Curated by ChEMBL


Assay Description
Inhibition of purified SMS2 (unknown origin) pre-incubated for 5 mins followed by DMPC and C6-NBD-ceramide addition and measured after 30 mins by HPL...

Bioorg Med Chem Lett 27: 3511-3515 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.074
BindingDB Entry DOI: 10.7270/Q28918BC
More data for this
Ligand-Target Pair