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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 148 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells | J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 1 (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | 425 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Binding affinity for Lysophosphatidic acid receptor 1 expressed in RH7777 rat hepatoma cells | J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 5 (LPA5) (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL | Assay Description Antagonist activity at LPA5 receptor in human isolated platelets assessed as inhibition of hexadecyl-LPA-induced platelet aggregation after 3 mins | Bioorg Med Chem Lett 22: 5239-43 (2012) Article DOI: 10.1016/j.bmcl.2012.06.057 BindingDB Entry DOI: 10.7270/Q2J1047Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3 (Rattus norvegicus) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc. Curated by ChEMBL | Assay Description Antagonist activity at LPA1 receptor in rat hepatic stellate cells assessed as inhibition of lysophosphatidic acid-induced intracellular calcium infl... | Bioorg Med Chem Lett 17: 3736-40 (2007) Article DOI: 10.1016/j.bmcl.2007.04.024 BindingDB Entry DOI: 10.7270/Q2CZ36T2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 1 (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Antagonist activity at LPA1 expressed in human chem1 cells assessed as effect on intracellular calcium mobilization by FLIPR assay | Bioorg Med Chem 18: 477-95 (2010) Article DOI: 10.1016/j.bmc.2009.12.020 BindingDB Entry DOI: 10.7270/Q2W66KWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 1 (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Curated by ChEMBL | Assay 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... | J Med Chem 55: 7920-39 (2012) Article DOI: 10.1021/jm301022v BindingDB Entry DOI: 10.7270/Q26974Q9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 1 (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 762 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA1 receptor | J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 3 (LPAR3) (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 301 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center Curated by ChEMBL | Assay Description Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor | J Med Chem 48: 4919-30 (2005) Article DOI: 10.1021/jm049609r BindingDB Entry DOI: 10.7270/Q2HD7V5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophosphatidic acid receptor 1 (Homo sapiens (Human)) | BDBM50170859 (3-(4-(4-((1-(2-chlorophenyl)ethoxy)carbonyl)-3-met...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Ajinomoto Company Inc. Curated by ChEMBL | Assay Description Antagonist activity at human recombinant LPA1 receptor expressed in CHOK1 cells assessed as inhibition of lysophosphatidic acid-induced intracellular... | Bioorg Med Chem Lett 17: 3736-40 (2007) Article DOI: 10.1016/j.bmcl.2007.04.024 BindingDB Entry DOI: 10.7270/Q2CZ36T2 | |||||||||||
More data for this Ligand-Target Pair |