BDBM50065616 CHEMBL3401388

SMILES CCC(CC)CC1(O)CCN(CC1)C(=O)Nc1cc(Oc2ccncc2)cc(Oc2ccc(F)cc2)c1

InChI Key InChIKey=BGDQNJZBOQYYEC-UHFFFAOYSA-N

Data  9 IC50  5 Kd

  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 14 hits for monomerid = 50065616   

TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50:  93nMAssay Description:Antagonist activity at human S1P2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration incubated 3 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >2.50E+4nMAssay Description:Antagonist activity at human LPA1 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >2.50E+4nMAssay Description:Antagonist activity at human S1P3 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidic acid receptor 2(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >2.50E+4nMAssay Description:Antagonist activity at human LPA2 receptor overexpressed in CHO cells assessed as increase in intracellular calcium ion concentration after 3 mins by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50:  45nMAssay Description:Displacement of [33P]-S1P from human S1P2 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]-S1P from human S1P1 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Ocean University Of China

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataKd: >100nMAssay Description:Binding affinity to S1PR5 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]-S1P from human S1P4 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
Ocean University Of China

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]-S1P from human S1P5 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataKd:  0.980nMAssay Description:Binding affinity to S1PR2 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataKd: >100nMAssay Description:Binding affinity to S1PR1 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataKd: >100nMAssay Description:Binding affinity to S1PR3 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataKd: >100nMAssay Description:Binding affinity to S1PR4 (unknown origin) assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Ono Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50065616(CHEMBL3401388)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of [33P]-S1P from human S1P3 receptor expressed in CHOK1 cells after 60 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed