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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for monomerid = 50237413   
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))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
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Article
PubMed
n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK1 in human MDA1483 cells using C17-sphingosine as substrate assessed as reduction in C17-S1P formation preincubated for 30 mins wit...


J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity against human melanocortin receptor hMC1R


J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 1


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 870n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal His6-tagged SPHK1 expressed in fall armyworm sf9 cells assessed as reduction in S1P formation using sphingosine as sub...


J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair
Sphingosine kinase 2


(Homo sapiens (Human))
BDBM50237413
PNG
(CHEMBL4082814)
Show SMILES Cc1nc2ccc(cc2n1C[C@H]1CCCO1)-c1ccc(CN2CCC[C@@H]2CO)cc1 |r|
Show InChI InChI=1S/C25H31N3O2/c1-18-26-24-11-10-21(14-25(24)28(18)16-23-5-3-13-30-23)20-8-6-19(7-9-20)15-27-12-2-4-22(27)17-29/h6-11,14,22-23,29H,2-5,12-13,15-17H2,1H3/t22-,23-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of SPHK2 (unknown origin) by FITC-based caliper assay


J Med Chem 60: 2562-2572 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00070
BindingDB Entry DOI: 10.7270/Q27P91PG
More data for this
Ligand-Target Pair