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BDBM50128899 (S)-Pyridin-4-ylmethyl-carbamic acid (R)-2-amino-3-hydroxy-octadec-4-enyl ester::CHEMBL416322

SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COC(=O)NCc1ccncc1

InChI Key: InChIKey=CUDMUSNHAPMJDI-QREDHFMISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128899   
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
Neutral sphingomyelinase


(Rattus norvegicus)		BDBM50128899
PNG
((S)-Pyridin-4-ylmethyl-carbamic acid (R)-2-amino-3...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COC(=O)NCc1ccncc1
Show InChI InChI=1S/C25H43N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(29)23(26)21-31-25(30)28-20-22-16-18-27-19-17-22/h14-19,23-24,29H,2-13,20-21,26H2,1H3,(H,28,30)/b15-14+/t23-,24+/m0/s1
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PC cid
PC sid
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Similars
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source

Bioorg Med Chem Lett 13: 1963-6 (2003)


BindingDB Entry DOI: 10.7270/Q2KD1ZFT
More data for this
Ligand-Target Pair