BDBM50428142 CHEMBL2336071

SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F

InChI Key InChIKey=KIHYPELVXPAIDH-HNSNBQBZSA-N

Data  4 EC50

PDB links: 4 PDB IDs match this monomer.

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 = 50428142   

TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50428142(CHEMBL2336071)
Show SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at human S1P3 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...More data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 5(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50428142(CHEMBL2336071)
Show SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
Affinity DataEC50:  0.980nMAssay Description:Agonist activity at human S1P5 receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 4(Homo sapiens (Human))
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50428142(CHEMBL2336071)
Show SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
Affinity DataEC50:  750nMAssay Description:Agonist activity at human S1P4 receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL
LigandPNGBDBM50428142(CHEMBL2336071)
Show SMILES CCc1cc(ccc1CN1CC(C1)C(O)=O)C(\C)=N\OCc1ccc(C2CCCCC2)c(c1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+
Affinity DataEC50:  0.400nMAssay Description:Agonist activity at human S1P1 receptor transfected in CHO cells incubated for 10 to 15 mins prior to GTPgamma35S addition measured after 120 mins by...More data for this Ligand-Target Pair