BDBM50313358 3-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidine-4-carboxamido)-3-methylphenylsulfonamido)propanoic acid::CHEMBL1086157::US9150519, 1-99

SMILES CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(cc1C)S(=O)(=O)NCCC(O)=O

InChI Key InChIKey=DYXSXMCLMXPWDO-UHFFFAOYSA-N

Data  1 KI  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50313358   

TargetSphingosine 1-phosphate receptor 1(Human)
Merck Serono

US Patent
LigandPNGBDBM50313358(3-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...)
Affinity DataEC50:  33nMpH: 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 3(Human)
Merck Serono

US Patent
LigandPNGBDBM50313358(3-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...)
Affinity DataEC50:  5.65E+3nMpH: 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
LigandPNGBDBM50313358(3-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...)
Affinity DataEC50:  33nMAssay 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
LigandPNGBDBM50313358(3-(4-(6-((cyclopropylmethyl)(propyl)amino)pyrimidi...)
Affinity DataKi:  6nM ΔG°:  -10.4kcal/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