BDBM50313362 2-((4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzyl)(methyl)amino)acetic acid::CHEMBL1090422::US9150519, 1-81

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

InChI Key InChIKey=QDTYAPJGCLKCBC-UHFFFAOYSA-N

Data  1 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50313362   

TargetSphingosine 1-phosphate receptor 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313362(2-((4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrim...)
Affinity DataEC50:  94nMpH: 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
Go to US Patent

TargetSphingosine 1-phosphate receptor 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313362(2-((4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrim...)
Affinity DataEC50:  94nMAssay 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 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313362(2-((4-(6-(cyclohexyl(cyclopropylmethyl)amino)pyrim...)
Affinity DataKi:  29nM ΔG°:  -9.55kcal/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
Go to US Patent