Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 1' and Ligand = 'BDBM50211645'
TargetLysophosphatidic acid receptor 1(Rattus norvegicus)
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: 74nMAssay 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))
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