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BDBM50458920 CHEMBL4216548

SMILES: C(Oc1cccc2onc(Nc3cccnc3)c12)c1nc2ccccc2o1

InChI Key: InChIKey=LMWYDGKICIVJKL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50458920   
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))		BDBM50458920
PNG
(CHEMBL4216548)
Show SMILES C(Oc1cccc2onc(Nc3cccnc3)c12)c1nc2ccccc2o1
Show InChI InChI=1S/C20H14N4O3/c1-2-7-15-14(6-1)23-18(26-15)12-25-16-8-3-9-17-19(16)20(24-27-17)22-13-5-4-10-21-11-13/h1-11H,12H2,(H,22,24)
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PC cid
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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