Compile Data Set for Download or QSAR
Found 8 Enz. Inhib. hit(s) with all data for entry = 50014809
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580104(CHEMBL5083629)
Show SMILES Oc1c(Cl)cccc1C(N1CCc2c1cc(OC(=O)Nc1ccccc1)cc2OC(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C35H27ClFN3O5/c36-29-13-7-12-28(33(29)41)32(22-14-16-23(37)17-15-22)40-19-18-27-30(40)20-26(44-34(42)38-24-8-3-1-4-9-24)21-31(27)45-35(43)39-25-10-5-2-6-11-25/h1-17,20-21,32,41H,18-19H2,(H,38,42)(H,39,43)
Affinity DataEC50:  5.97E+4nMAssay Description:Agonist activity at human GPR17 in human LN-229 cells assessed as decrease in intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580104(CHEMBL5083629)
Show SMILES Oc1c(Cl)cccc1C(N1CCc2c1cc(OC(=O)Nc1ccccc1)cc2OC(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C35H27ClFN3O5/c36-29-13-7-12-28(33(29)41)32(22-14-16-23(37)17-15-22)40-19-18-27-30(40)20-26(44-34(42)38-24-8-3-1-4-9-24)21-31(27)45-35(43)39-25-10-5-2-6-11-25/h1-17,20-21,32,41H,18-19H2,(H,38,42)(H,39,43)
Affinity DataEC50:  1.92E+4nMAssay Description:Agonist activity at human GPR17 in human SNB-19 cells assessed as decrease in intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580105(CHEMBL5086989)
Show SMILES OC(=O)CCC1=C(Cc2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C13H10Cl2O4/c14-7-3-6-4-9(13(18)19)8(1-2-11(16)17)12(6)10(15)5-7/h3,5H,1-2,4H2,(H,16,17)(H,18,19)
Affinity DataEC50:  1.66E+4nMAssay Description:Inverse agonist at human GPR17 in human LN-229 cells assessed as intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580104(CHEMBL5083629)
Show SMILES Oc1c(Cl)cccc1C(N1CCc2c1cc(OC(=O)Nc1ccccc1)cc2OC(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C35H27ClFN3O5/c36-29-13-7-12-28(33(29)41)32(22-14-16-23(37)17-15-22)40-19-18-27-30(40)20-26(44-34(42)38-24-8-3-1-4-9-24)21-31(27)45-35(43)39-25-10-5-2-6-11-25/h1-17,20-21,32,41H,18-19H2,(H,38,42)(H,39,43)
Affinity DataEC50:  7.67E+3nMAssay Description:Agonist activity at human GPR17 in human SNB-19 cells assessed as decrease in calcium ion levels incubated for 2 hrs by Calcium Fura 2 Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580105(CHEMBL5086989)
Show SMILES OC(=O)CCC1=C(Cc2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C13H10Cl2O4/c14-7-3-6-4-9(13(18)19)8(1-2-11(16)17)12(6)10(15)5-7/h3,5H,1-2,4H2,(H,16,17)(H,18,19)
Affinity DataEC50:  2.69E+4nMAssay Description:Agonist activity at human GPR17 in human LN-229 cells assessed as decrease in calcium ion levels incubated for 2 hrs by Calcium Fura 2 Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580104(CHEMBL5083629)
Show SMILES Oc1c(Cl)cccc1C(N1CCc2c1cc(OC(=O)Nc1ccccc1)cc2OC(=O)Nc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C35H27ClFN3O5/c36-29-13-7-12-28(33(29)41)32(22-14-16-23(37)17-15-22)40-19-18-27-30(40)20-26(44-34(42)38-24-8-3-1-4-9-24)21-31(27)45-35(43)39-25-10-5-2-6-11-25/h1-17,20-21,32,41H,18-19H2,(H,38,42)(H,39,43)
Affinity DataEC50:  4.19E+4nMAssay Description:Agonist activity at human GPR17 in human LN-229 cells assessed as decrease in calcium ion levels incubated for 2 hrs by Calcium Fura 2 Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580105(CHEMBL5086989)
Show SMILES OC(=O)CCC1=C(Cc2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C13H10Cl2O4/c14-7-3-6-4-9(13(18)19)8(1-2-11(16)17)12(6)10(15)5-7/h3,5H,1-2,4H2,(H,16,17)(H,18,19)
Affinity DataEC50:  2.63E+4nMAssay Description:Agonist activity at human GPR17 in human SNB-19 cells assessed as decrease in calcium ion levels incubated for 2 hrs by Calcium Fura 2 Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
Tampere University

Curated by ChEMBL
LigandPNGBDBM50580105(CHEMBL5086989)
Show SMILES OC(=O)CCC1=C(Cc2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C13H10Cl2O4/c14-7-3-6-4-9(13(18)19)8(1-2-11(16)17)12(6)10(15)5-7/h3,5H,1-2,4H2,(H,16,17)(H,18,19)
Affinity DataEC50:  1.77E+4nMAssay Description:Inverse agonist at human GPR17 in human SNB-19 cells assessed as intracellular cAMP levels incubated for 2 hrs by cAMP Glo Dynamic assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid