BDBM50146231 CHEMBL328016::Phosphoric acid mono-[(S)-3-(4-benzyloxy-phenyl)-2-((Z)-octadec-9-enoylamino)-propyl] ester

SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1

InChI Key InChIKey=NJLPYJKKKSBCSK-WDCKUFQWSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50146231   

TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50146231(CHEMBL328016 | Phosphoric acid mono-[(S)-3-(4-benz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t32-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro ability to antagonize LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 1 in HEK293T cell linesMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 3(Homo sapiens (Human))
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50146231(CHEMBL328016 | Phosphoric acid mono-[(S)-3-(4-benz...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](COP(O)(O)=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C34H52NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34(36)35-32(29-41-42(37,38)39)27-30-23-25-33(26-24-30)40-28-31-20-17-16-18-21-31/h9-10,16-18,20-21,23-26,32H,2-8,11-15,19,22,27-29H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t32-/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:In vitro antagonism of LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 3 in HEK293T cell linesMore data for this Ligand-Target Pair