BDBM50532534 CHEMBL4469843

SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CN[C@H]1CCC[C@H]1C(O)=O

InChI Key InChIKey=IJBKIJSFUIRJKW-UHFFFAOYSA-N

Data  2 IC50  4 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 6 hits for monomerid = 50532534   

TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50532534(CHEMBL4469843)
Affinity DataIC50: 0.510nMAssay Description:Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50532534(CHEMBL4469843)
Affinity DataIC50: 0.510nMAssay Description:Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50532534(CHEMBL4469843)
Affinity DataEC50:  27nMAssay Description:Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50532534(CHEMBL4469843)
Affinity DataEC50:  1.10E+3nMAssay Description:Agonist activity at human S1P3 receptor expressed in HEK293T cell co-expressing G-alpha15-BLA measured after 45 mins by [35S]GTP-gammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 1(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50532534(CHEMBL4469843)
Affinity DataEC50:  27nMAssay Description:Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSphingosine 1-phosphate receptor 3(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50532534(CHEMBL4469843)
Affinity DataEC50:  1.10E+3nMAssay Description:Agonist activity at human S1P3 receptor expressed in HEK293T cell co-expressing G-alpha15-BLA measured after 45 mins by [35S]GTP-gammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed