BDBM50170859 3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-methylisoxazol-5-yl)benzylthio)propanoic acid::3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonylamino)-3-methylisoxazol-5-yl)benzylthio)propanoic acid::3-(4-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-benzylsulfanyl)-propionic acid::CHEMBL361501

SMILES CC(OC(=O)Nc1c(C)noc1-c1ccc(CSCCC(O)=O)cc1)c1ccccc1Cl

InChI Key InChIKey=LLIFMNUXGDHTRO-UHFFFAOYSA-N

Data  2 KI  7 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50170859   

TargetLysophosphatidic acid receptor 3(Homo sapiens (Human))
University of Tennessee Health Science Center

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 DataKi:  148nMAssay Description:Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cellsMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Tennessee Health Science Center

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 DataKi:  425nMAssay Description:Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cellsMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 5(Homo sapiens (Human))
Sanofi-Aventis Deutschland GmbH

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: 3.00E+4nMAssay Description:Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 minsMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Rattus norvegicus)
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: 160nMAssay Description:Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Tennessee Health Science Center

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: 46nMAssay Description:Antagonist activity at LPA1 expressed in human chem1 cells assessed as effect on intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Tennessee Health Science Center

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: 160nMAssay Description:Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...More data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Tennessee Health Science Center

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: 762nMAssay Description:Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptorMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 3(Homo sapiens (Human))
University of Tennessee Health Science Center

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: 301nMAssay Description:Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptorMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Tennessee Health Science Center

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