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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingomyelin phosphodiesterase 2' and Ligand = 'BDBM50128896'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Sphingomyelin phosphodiesterase 2


(Rattus norvegicus)		BDBM50128896
PNG
(CHEMBL416323 | {2-[(E)-(2S,3R)-2-(2,2-Dimethyl-pro...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCC[N+](C)(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C29H57N3O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(33)25(31-27(34)29(2,3)4)24-36-28(35)30-22-23-32(5,6)7/h20-21,25-26,33H,8-19,22-24H2,1-7H3,(H-,30,31,34,35)/p+1/b21-20+/t25-,26+/m0/s1
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Similars
PubMed
n/an/a 8.70E+3n/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