BDBM50313345 6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide::CHEMBL1087911::US9150519, 1-77

SMILES CN(C)Cc1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1

InChI Key InChIKey=ATFKFGZTHOJXBN-UHFFFAOYSA-N

Data  1 KI  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50313345   

TargetSphingosine 1-phosphate receptor 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313345(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dime...)
Affinity DataKi:  51nM ΔG°:  -9.24kcal/molepH: 7.4 T: 2°CAssay Description:Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRI...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2016
Entry Details
US Patent

TargetSphingosine 1-phosphate receptor 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313345(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dime...)
Affinity DataEC50:  104nMpH: 7.4 T: 2°CAssay Description:Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElme...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2016
Entry Details
US Patent

TargetSphingosine 1-phosphate receptor 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313345(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dime...)
Affinity DataEC50:  104nMAssay Description:Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
Merck Serono

US Patent
LigandPNGBDBM50313345(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dime...)
Affinity DataEC50:  1.01E+6nMpH: 7.4 T: 2°CAssay Description:Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 ug protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElme...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2016
Entry Details
US Patent