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BDBM50117839 CHEMBL3613982

SMILES: O=C(COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)NCc1ccccc1

InChI Key: InChIKey=NWKRQKGWRQQSMU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50117839   
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 1


(Homo sapiens (Human))
BDBM50117839
PNG
(CHEMBL3613982)
Show SMILES O=C(COc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C23H24N2O4S/c26-23(24-17-20-9-5-2-6-10-20)18-29-21-11-13-22(14-12-21)30(27,28)25-16-15-19-7-3-1-4-8-19/h1-14,25H,15-18H2,(H,24,26)
PDB

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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.31E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of sphingomyelin synthase-1 (unknown origin) expressed in HeLa cells using C6-NBD-Cer and DMPC as substrate after 2 hrs by fluorescent HPL...


Bioorg Med Chem 23: 6173-84 (2015)


Article DOI: 10.1016/j.bmc.2015.07.060
BindingDB Entry DOI: 10.7270/Q2NG4SF6
More data for this
Ligand-Target Pair