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SMILES: COc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1

InChI Key: InChIKey=LPOVXFJSARSAMN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50254232   
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))		BDBM50254232
PNG
(CHEMBL4076807)
Show SMILES COc1cccc(COc2ccccc2-c2nc3cccnc3o2)c1
Show InChI InChI=1S/C20H16N2O3/c1-23-15-7-4-6-14(12-15)13-24-18-10-3-2-8-16(18)19-22-17-9-5-11-21-20(17)25-19/h2-12H,13H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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