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BDBM50193518 3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosphonothioate::CHEMBL211465

SMILES: CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1

InChI Key: InChIKey=HGTUZBIEGDZLRZ-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50193518   
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


(Homo sapiens (Human))
BDBM50193518
PNG
(3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
314n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50193518
PNG
(3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.15E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50193518
PNG
(3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA3 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50193518
PNG
(3-hydroxyl-4-palmitoyloxylbutane 1,3-cyclic phosph...)
Show SMILES CCCCCCCCCCCCCCCC(=O)OCC1CCP(O)(=S)O1
Show InChI InChI=1S/C20H39O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(21)23-18-19-16-17-25(22,26)24-19/h19H,2-18H2,1H3,(H,22,26)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 799n/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Activity at human LPA1 receptor expressed in RH7777 cells by calcium mobilization assay


J Med Chem 49: 5309-15 (2006)


Article DOI: 10.1021/jm060351+
BindingDB Entry DOI: 10.7270/Q2VM4BWW
More data for this
Ligand-Target Pair