Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50020243
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211650(3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbo...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCC1
Show InChI InChI=1S/C21H23ClN2O5S/c1-13(16-3-2-4-17(16)22)29-21(27)23-18-11-28-24-20(18)15-7-5-14(6-8-15)12-30-10-9-19(25)26/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,23,27)(H,25,26)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211648(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCSCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)10-11-31-13-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
Affinity DataIC50: 130nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211655(4-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(NC(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H20ClN3O6/c1-13(16-4-2-3-5-17(16)23)32-22(30)25-18-12-31-26-21(18)14-6-8-15(9-7-14)24-19(27)10-11-20(28)29/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)
Affinity DataIC50: 140nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211647(3-(4-(4-((1-(2-chlorocyclohex-1-enyl)ethoxy)carbon...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCCC1
Show InChI InChI=1S/C22H25ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h6-9,12,14H,2-5,10-11,13H2,1H3,(H,24,28)(H,26,27)
Affinity DataIC50: 170nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211646(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5/c1-15(18-7-3-4-8-19(18)24)31-23(29)25-20-14-30-26-22(20)17-12-10-16(11-13-17)6-2-5-9-21(27)28/h3-4,7-8,10-15H,2,5-6,9H2,1H3,(H,25,29)(H,27,28)
Affinity DataIC50: 200nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211649(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)30-22(28)24-19-12-29-25-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
Affinity DataIC50: 220nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211651(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1cnoc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O5S/c1-14(17-4-2-3-5-18(17)23)29-22(28)25-19-12-24-30-21(19)16-8-6-15(7-9-16)13-31-11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,25,28)(H,26,27)
Affinity DataIC50: 260nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211653(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CS(=O)(=O)CCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C22H21ClN2O7S/c1-14(17-4-2-3-5-18(17)23)32-22(28)24-19-12-31-25-21(19)16-8-6-15(7-9-16)13-33(29,30)11-10-20(26)27/h2-9,12,14H,10-11,13H2,1H3,(H,24,28)(H,26,27)
Affinity DataIC50: 280nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211654(5-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CCC(C)(C)CC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C25H27ClN2O5/c1-16(19-6-4-5-7-20(19)26)33-24(31)27-21-15-32-28-23(21)18-10-8-17(9-11-18)12-13-25(2,3)14-22(29)30/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,29,30)
Affinity DataIC50: 370nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211645(2-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)isoxaz...)
Show SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCS(O)(=O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O6S2/c1-14(17-4-2-3-5-18(17)22)30-21(25)23-19-12-29-24-20(19)16-8-6-15(7-9-16)13-31-10-11-32(26,27)28/h2-9,12,14H,10-11,13H2,1H3,(H,23,25)(H,26,27,28)
Affinity DataIC50: 430nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50170859(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Show SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C23H23ClN2O5S/c1-14-21(25-23(29)30-15(2)18-5-3-4-6-19(18)24)22(31-26-14)17-9-7-16(8-10-17)13-32-12-11-20(27)28/h3-10,15H,11-13H2,1-2H3,(H,25,29)(H,27,28)
Affinity DataIC50: 510nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
Ajinomoto Co. Inc

Curated by ChEMBL
LigandPNGBDBM50211652(3-{2'-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-bi...)
Show SMILES CC(OC(=O)Nc1ccccc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl
Show InChI InChI=1S/C25H24ClNO4S/c1-17(20-6-2-4-8-22(20)26)31-25(30)27-23-9-5-3-7-21(23)19-12-10-18(11-13-19)16-32-15-14-24(28)29/h2-13,17H,14-16H2,1H3,(H,27,30)(H,28,29)
Affinity DataIC50: 4.00E+4nMAssay Description:Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular...More data for this Ligand-Target Pair