Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with all data for entry = 50044258
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50004952(3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...)
Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
Affinity DataKi:  1.21E+3nMAssay Description:Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by homologous competition binding assay in presence o...More data for this Ligand-Target Pair
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50010475(GAVESTINEL | GV-150526X)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)Nc1ccccc1
Show InChI InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+
Affinity DataKi:  1.63E+3nMAssay Description:Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50004952(3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...)
Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
Affinity DataKi:  2.32E+3nMAssay Description:Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by competition binding assayMore data for this Ligand-Target Pair
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50023198(8-[4-(4-phenylbutyloxy)benzoyl]amino-2-(tetrazol-5...)
Show SMILES O=C(Nc1cccc2c1oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
Affinity DataKi:  4.06E+3nMAssay Description:Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assayMore data for this Ligand-Target Pair
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50052024(CHEMBL787 | montelukast)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-/m1/s1
Affinity DataKi:  6.54E+3nMAssay Description:Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assayMore data for this Ligand-Target Pair
TargetUracil nucleotide/cysteinyl leukotriene receptor(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50004952(3-(2-Carboxy-ethyl)-4,6-dichloro-1H-indole-2-carbo...)
Show SMILES OC(=O)CCc1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
Affinity DataKd:  1.26E+3nMAssay Description:Binding affinity to human GPR17 expressed in CHO-K1 cell membranes after 60 mins by saturation curve studyMore data for this Ligand-Target Pair