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BDBM50146232 CHEMBL440696::Phosphoric acid mono-{(R)-2-((Z)-octadec-9-enoylamino)-3-[4-(pyridin-2-ylmethoxy)-phenyl]-propyl} ester

SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1

InChI Key: InChIKey=XHZMTTZICDAOHN-HWNQJZBBSA-N

Data: 3 KI  3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50146232   
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 1 (LPAR1)


(Homo sapiens (Human))
BDBM50146232
PNG
(CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

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UniChem

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Article
PubMed
18n/an/an/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
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50146232
PNG
(CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards Lysophosphatidic acid 1 (LPA1) receptor


Bioorg Med Chem Lett 14: 4069-74 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.023
BindingDB Entry DOI: 10.7270/Q2930SM1
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50146232
PNG
(CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
175n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Binding affinity towards Lysophosphatidic acid 3 (LPA3) receptor


Bioorg Med Chem Lett 14: 4069-74 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.023
BindingDB Entry DOI: 10.7270/Q2930SM1
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1/3


(Homo sapiens (Human))
BDBM50146232
PNG
(CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 109n/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
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50146232
PNG
(CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 109n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lysophosphatidic acid 1 (LPA1) receptor


Bioorg Med Chem Lett 14: 4069-74 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.023
BindingDB Entry DOI: 10.7270/Q2930SM1
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50146232
PNG
(CHEMBL440696 | Phosphoric acid mono-{(R)-2-((Z)-oc...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C33H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(36)35-31(28-41-42(37,38)39)26-29-21-23-32(24-22-29)40-27-30-19-17-18-25-34-30/h9-10,17-19,21-25,31H,2-8,11-16,20,26-28H2,1H3,(H,35,36)(H2,37,38,39)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 175n/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