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4 similar compounds to monomer 50170853

Compile data set for download or QSAR
Wt: 228.0
BDBM50067776
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Wt: 242.1
BDBM50067780
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Wt: 250.3
BDBM50170845
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Wt: 278.3
BDBM50170846
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50067776,50067780,50170845,50170846   
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))
BDBM50170845
PNG
(CHEMBL363067 | Dodecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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PubMed
303n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50170846
PNG
(CHEMBL190999 | Tetradecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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Article
PubMed
1.12E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50170846
PNG
(CHEMBL190999 | Tetradecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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PubMed
3.55E+3n/an/an/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity for Lysophosphatidic acid receptor 2 expressed in RH7777 rat hepatoma cells


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067780
PNG
(Hexane-1,6-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCCCCP([O-])([O-])=O
Show InChI InChI=1S/C6H16O6P2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2,(H2,7,8,9)(H2,10,11,12)/p-4
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Article
PubMed
n/an/an/a 2.13E+6n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50170845
PNG
(CHEMBL363067 | Dodecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C12H27O3P/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H2,13,14,15)
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PubMed
n/an/a 654n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50170846
PNG
(CHEMBL190999 | Tetradecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA3 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair
Phosphoglycerate kinase 1


(Saccharomyces cerevisiae)
BDBM50067776
PNG
(Pentane-1,5-bisphosphonic Acid)
Show SMILES [O-]P([O-])(=O)CCCCCP([O-])([O-])=O
Show InChI InChI=1S/C5H14O6P2/c6-12(7,8)4-2-1-3-5-13(9,10)11/h1-5H2,(H2,6,7,8)(H2,9,10,11)/p-4
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Article
PubMed
n/an/an/a 1.30E+6n/an/an/an/an/a



University of Sheffield

Curated by ChEMBL


Assay Description
Dissociation constant of phosphoglycerate kinase (PGK) at pH (3.0-11.0) was determined


J Med Chem 41: 4439-52 (1998)


Article DOI: 10.1021/jm970839y
BindingDB Entry DOI: 10.7270/Q2BR8SV2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50170846
PNG
(CHEMBL190999 | Tetradecyl-phosphonic acid)
Show SMILES CCCCCCCCCCCCCCP(O)(O)=O
Show InChI InChI=1S/C14H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17/h2-14H2,1H3,(H2,15,16,17)
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPA-induced calcium transients in RH7777 rat hepatoma cells expressing LPA2 receptor


J Med Chem 48: 4919-30 (2005)


Article DOI: 10.1021/jm049609r
BindingDB Entry DOI: 10.7270/Q2HD7V5N
More data for this
Ligand-Target Pair