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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 = 'BDBM50128904'   
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)		BDBM50128904
PNG
((2-Diisopropylamino-ethyl)-carbamic acid (E)-(2S,3...)
Show SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)NCCN(C(C)C)C(C)C)NC(=O)C(C)(C)C
Show InChI InChI=1S/C32H63N3O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(36)28(34-30(37)32(6,7)8)25-39-31(38)33-23-24-35(26(2)3)27(4)5/h21-22,26-29,36H,9-20,23-25H2,1-8H3,(H,33,38)(H,34,37)/b22-21+/t28-,29+/m0/s1
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PC cid
PC sid
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Similars
PubMed
n/an/a 1.80E+4n/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