null

SMILES Cc1cc2[nH]ncc2cc1NC(=O)c1cc(ncn1)N(CC1CC1)C1CCCCC1

InChI Key InChIKey=YYDJCLCSBYCSCO-UHFFFAOYSA-N

  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 6 hits for monomerid = 50313353   

TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313353(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)copy SMILEScopy InChI
Affinity DataEC50:  6nMpH: 7.4 T: 2°CAssay Description:Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H993ZKUS Patent
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313353(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)copy SMILEScopy InChI
Affinity DataEC50:  3.27E+3nMpH: 7.4 T: 2°CAssay Description:Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2H993ZKUS Patent
TargetBcl-2-related protein A1(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50313353(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VCZPubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313353(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)copy SMILEScopy InChI
Affinity DataEC50:  3.27E+3nMAssay Description:Agonist activity at S1P3 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38SQKPubMed
TargetBcl-2-related protein A1(Homo sapiens (Human))
Human BioMolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50313353(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time resolved-FRET assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27D2VCZPubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
MERCK SERONO SA

US Patent
LigandPNGBDBM50313353(6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl...)copy SMILEScopy InChI
Affinity DataEC50:  6nMAssay 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 DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38SQKPubMed