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BDBM50146254 CHEMBL327240::Phosphoric acid mono-[(R)-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-MJPIYRIWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50146254   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50146254
PNG
(CHEMBL327240 | Phosphoric acid mono-[(R)-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-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro antagonism of LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 3 in HEK293T cell lines


Bioorg Med Chem Lett 14: 2735-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.076
BindingDB Entry DOI: 10.7270/Q2DF6QN9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50146254
PNG
(CHEMBL327240 | Phosphoric acid mono-[(R)-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-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.49E+3n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
In vitro ability to antagonize LPA-evoked [35S]-GTP-gammaS binding to lysophosphatidic acid receptor 1 in HEK293T cell lines


Bioorg Med Chem Lett 14: 2735-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.076
BindingDB Entry DOI: 10.7270/Q2DF6QN9
More data for this
Ligand-Target Pair