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  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 12 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...)
Affinity DataKi:  148nMAssay Description:Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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...)
Affinity DataKi:  425nMAssay Description:Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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...)
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
In DepthDetails ArticlePubMed
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...)
Affinity DataIC50:  1.60E+3nMAssay Description:Antagonist activity at LPA3 receptor (unknown origin) expressed in cells assessed as blockade of LPA-induced calcium mobilization measured after 120 ...More data for this Ligand-Target Pair
In DepthDetails PubMed
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...)
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
In DepthDetails ArticlePubMed
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...)
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
In DepthDetails ArticlePubMed
TargetLysophosphatidic acid receptor 5(Homo sapiens (Human))
Sanofi-Aventis Deutschland

Curated by ChEMBL
LigandPNGBDBM50170859(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
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
In DepthDetails ArticlePubMed
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...)
Affinity DataIC50:  800nMAssay Description:Antagonist activity at LPA1 receptor (unknown origin) expressed in cells assessed as blockade of LPA-induced calcium mobilization measured after 120 ...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetLysophosphatidic acid receptor 2(Homo sapiens)
Universidad Complutense De Madrid

Curated by ChEMBL
LigandPNGBDBM50170859(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
Affinity DataIC50:  1.20E+3nMAssay Description:Antagonist activity at LPA2 receptor (unknown origin) expressed in cells assessed as blockade of LPA-induced calcium mobilization measured after 120 ...More data for this Ligand-Target Pair
In DepthDetails PubMed
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...)
Affinity DataIC50:  762nMAssay Description:Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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...)
Affinity DataIC50:  301nMAssay Description:Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysophosphatidic acid receptor 1(Rattus norvegicus)
Ajinomoto

Curated by ChEMBL
LigandPNGBDBM50170859(3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...)
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
In DepthDetails ArticlePubMed