BDBM50211650 3-(4-(4-((1-(2-chlorocyclopent-1-enyl)ethoxy)carbonyl)isoxazol-3-yl)benzylthio)propanoic acid::CHEMBL247959

SMILES CC(OC(=O)Nc1conc1-c1ccc(CSCCC(O)=O)cc1)C1=C(Cl)CCC1

InChI Key InChIKey=RXTLJHATTIUSHW-UHFFFAOYSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50211650   

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(Rattus norvegicus)
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: 29nMAssay 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