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SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CNC(=O)NCc1ccncc1)NC(=O)C(C)(C)C

InChI Key: InChIKey=QXMFWMCUUZHNTH-HXYYQIRISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50134343   
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
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50134343
PNG
(CHEMBL331289 | N-[(E)-(1S,2R)-2-Hydroxy-1-(3-pyrid...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CNC(=O)NCc1ccncc1)NC(=O)C(C)(C)C
Show InChI InChI=1S/C30H52N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)26(34-28(36)30(2,3)4)24-33-29(37)32-23-25-19-21-31-22-20-25/h17-22,26-27,35H,5-16,23-24H2,1-4H3,(H,34,36)(H2,32,33,37)/b18-17+/t26-,27+/m0/s1
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PC cid
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PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against N-SMase (neutral magnesium- dependent-sphingomyelinase) using rat brain microsomes

Bioorg Med Chem Lett 13: 3681-4 (2003)


BindingDB Entry DOI: 10.7270/Q2416WGH
More data for this
Ligand-Target Pair