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BDBM50458935 CHEMBL4212313

SMILES: FC(F)(F)Oc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1

InChI Key: InChIKey=MRKOLAWLXQTOPA-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50458935   
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))		BDBM50458935
PNG
(CHEMBL4212313)
Show SMILES FC(F)(F)Oc1ccc(COc2cccc3onc(Nc4cccnc4)c23)cc1
Show InChI InChI=1S/C20H14F3N3O3/c21-20(22,23)28-15-8-6-13(7-9-15)12-27-16-4-1-5-17-18(16)19(26-29-17)25-14-3-2-10-24-11-14/h1-11H,12H2,(H,25,26)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human SMS2 using C6-NBD-ceramide and DMPC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 min...

J Med Chem 61: 8241-8254 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00727
BindingDB Entry DOI: 10.7270/Q2W37ZZH
More data for this
Ligand-Target Pair