BDBM50150002 CHEMBL184055::Phosphoric acid mono-{(R)-2-((Z)-octadec-9-enoylamino)-3-[4-(pyridin-3-ylmethoxy)-phenyl]-propyl} ester

SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cccnc2)cc1

InChI Key InChIKey=KMTDWYLEJRZIJN-HWNQJZBBSA-N

Data  1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50150002   

TargetLysophosphatidic acid receptor 3(Homo sapiens (Human))
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50150002(CHEMBL184055 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(36)35-31(28-41-42(37,38)39)25-29-20-22-32(23-21-29)40-27-30-18-17-24-34-26-30/h9-10,17-18,20-24,26,31H,2-8,11-16,19,25,27-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
Affinity DataKi:  1.69E+3nMAssay Description:Binding affinity towards Lysophosphatidic acid 3 (LPA3) receptorMore data for this Ligand-Target Pair
TargetLysophosphatidic acid receptor 1(Homo sapiens (Human))
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50150002(CHEMBL184055 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33(36)35-31(28-41-42(37,38)39)25-29-20-22-32(23-21-29)40-27-30-18-17-24-34-26-30/h9-10,17-18,20-24,26,31H,2-8,11-16,19,25,27-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
Affinity DataIC50: 992nMAssay Description:Inhibitory concentration against Lysophosphatidic acid 1 (LPA1) receptorMore data for this Ligand-Target Pair