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PubMed code 21050755

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50331854
PNG
(CHEMBL1241832 | N'-((2-hydroxynaphthalen-1-yl)meth...)
Show SMILES Oc1ccc2ccccc2c1C=NNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1 |w:12.14|
Show InChI InChI=1S/C25H18N4O2/c30-24-12-11-17-6-3-4-8-20(17)21(24)15-26-29-25(31)23-14-22(27-28-23)19-10-9-16-5-1-2-7-18(16)13-19/h1-15,30H,(H,27,28)(H,29,31)
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PC sid
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Similars

Article
PubMed
1.06E+3n/an/an/an/an/an/an/an/a



Pennsylvania State University College of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant sphingosine kinase 1 using D-erythro-sphingosine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 20: 7498-502 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.005
BindingDB Entry DOI: 10.7270/Q2J67H66
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50331855
PNG
(CHEMBL1289102 | N'-(1-(3,4-dimethoxyphenyl)ethylid...)
Show SMILES COc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=C(C)c1ccc(OC)c(OC)c1 |w:16.17|
Show InChI InChI=1S/C21H22N4O4/c1-13(15-7-10-19(28-3)20(11-15)29-4)22-25-21(26)18-12-17(23-24-18)14-5-8-16(27-2)9-6-14/h5-12H,1-4H3,(H,23,24)(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.33E+3n/an/an/an/an/an/an/an/a



Pennsylvania State University College of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant sphingosine kinase 1 using D-erythro-sphingosine as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 20: 7498-502 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.005
BindingDB Entry DOI: 10.7270/Q2J67H66
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%