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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine kinase 1' and Ligand = 'BDBM50443385'   
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))
BDBM50443385
PNG
(SPC-100270 | Safingol | Safingol HCl)
Show SMILES CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
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Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



500 University Drive

Curated by ChEMBL


Assay Description
Competitive inhibition of SphK1 (unknown origin)


J Med Chem 57: 5509-24 (2014)


Article DOI: 10.1021/jm4011687
BindingDB Entry DOI: 10.7270/Q2474CF5
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50443385
PNG
(SPC-100270 | Safingol | Safingol HCl)
Show SMILES CCCCCCCCCCCCCCC[C@H](O)[C@@H](N)CO
Show InChI InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



The City University of New York

Curated by ChEMBL


Assay Description
Inhibition of sphingosine kinase 1 (unknown origin)


J Med Chem 56: 9310-27 (2013)


Article DOI: 10.1021/jm401399c
BindingDB Entry DOI: 10.7270/Q2S75HSK
More data for this
Ligand-Target Pair