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BDBM50176390 (R)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosphorothioate::CHEMBL201482

SMILES: CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC

InChI Key: InChIKey=PLCCQSPJUXGEHV-LJQANCHMSA-N

Data: 3 EC50

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 3 hits for monomerid = 50176390   
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))
BDBM50176390
PNG
((R)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/an/an/a 3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA3 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1 (LPAR1)


(Homo sapiens (Human))
BDBM50176390
PNG
((R)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 695n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA1 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens)
BDBM50176390
PNG
((R)-O-2,3-bis(octyloxy)propyl O,O-dihydrogen phosp...)
Show SMILES CCCCCCCCOC[C@H](COP(O)(O)=S)OCCCCCCCC
Show InChI InChI=1S/C19H41O5PS/c1-3-5-7-9-11-13-15-22-17-19(18-24-25(20,21)26)23-16-14-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H2,20,21,26)/t19-/m1/s1
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.72E+3n/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Activity at LPA2 receptor transfected RH7777 cells


Bioorg Med Chem Lett 16: 633-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.031
BindingDB Entry DOI: 10.7270/Q2ZC82DB
More data for this
Ligand-Target Pair