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3 similar compounds to monomer 50150004

Compile data set for download or QSAR
Wt: 600.7
BDBM50150012
Wt: 600.7
BDBM50150013
Wt: 590.7
BDBM50332903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50150012,50150013,50332903   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50332903
PNG
(CHEMBL1632525 | CHEMBL1632526 | anti-(3S)-2-hydrox...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)CP(O)(O)O
Show InChI InChI=1S/C32H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(36)34-30(31(35)26-41(37,38)39)24-27-19-21-29(22-20-27)40-25-28-17-15-16-23-33-28/h15-17,19-23,30,37-39,41H,2-14,18,24-26H2,1H3,(H,34,36)/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method


Bioorg Med Chem Lett 20: 7132-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.030
BindingDB Entry DOI: 10.7270/Q2TD9XMV
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50150012
PNG
(CHEMBL181906 | {3-((Z)-(S)-Octadec-9-enoylamino)-4...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C34H53N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34(37)36-31(25-27-42(38,39)40)28-30-21-23-33(24-22-30)41-29-32-19-17-18-26-35-32/h9-10,17-19,21-24,26,31H,2-8,11-16,20,25,27-29H2,1H3,(H,36,37)(H2,38,39,40)/b10-9-/t31-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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 3 (LPAR3)


(Homo sapiens (Human))
BDBM50150013
PNG
(CHEMBL181956 | {(R)-3-((Z)-Octadec-9-enoylamino)-4...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C34H53N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34(37)36-31(25-27-42(38,39)40)28-30-21-23-33(24-22-30)41-29-32-19-17-18-26-35-32/h9-10,17-19,21-24,26,31H,2-8,11-16,20,25,27-29H2,1H3,(H,36,37)(H2,38,39,40)/b10-9-/t31-/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Homo sapiens (Human))
BDBM50332903
PNG
(CHEMBL1632525 | CHEMBL1632526 | anti-(3S)-2-hydrox...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)CP(O)(O)O
Show InChI InChI=1S/C32H51N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(36)34-30(31(35)26-41(37,38)39)24-27-19-21-29(22-20-27)40-25-28-17-15-16-23-33-28/h15-17,19-23,30,37-39,41H,2-14,18,24-26H2,1H3,(H,34,36)/t30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of autotoxin assessed as choline production after 60 to 180 mins using lysophosphatidylcholine as a substrate by colorimetric method


Bioorg Med Chem Lett 20: 7132-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.030
BindingDB Entry DOI: 10.7270/Q2TD9XMV
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50150013
PNG
(CHEMBL181956 | {(R)-3-((Z)-Octadec-9-enoylamino)-4...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C34H53N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34(37)36-31(25-27-42(38,39)40)28-30-21-23-33(24-22-30)41-29-32-19-17-18-26-35-32/h9-10,17-19,21-24,26,31H,2-8,11-16,20,25,27-29H2,1H3,(H,36,37)(H2,38,39,40)/b10-9-/t31-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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
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 1


(Homo sapiens (Human))
BDBM50150012
PNG
(CHEMBL181906 | {3-((Z)-(S)-Octadec-9-enoylamino)-4...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](CCP(O)(O)=O)Cc1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C34H53N2O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-34(37)36-31(25-27-42(38,39)40)28-30-21-23-33(24-22-30)41-29-32-19-17-18-26-35-32/h9-10,17-19,21-24,26,31H,2-8,11-16,20,25,27-29H2,1H3,(H,36,37)(H2,38,39,40)/b10-9-/t31-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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
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