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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 3 (LPAR3)' and Ligand = 'BDBM50304581'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50304581
PNG
(2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic ...)
Show SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1
Show InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12)17(22)18(16(13)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Binding affinity to LPA3


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50304581
PNG
(2-(1,3-dioxo-5-(p-tolyloxy)isoindolin-2-yl)acetic ...)
Show SMILES Cc1ccc(Oc2ccc3C(=O)N(CC(O)=O)C(=O)c3c2)cc1
Show InChI InChI=1S/C17H13NO5/c1-10-2-4-11(5-3-10)23-12-6-7-13-14(8-12)17(22)18(16(13)21)9-15(19)20/h2-8H,9H2,1H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.99E+3n/an/an/an/an/an/a



The University of Memphis

Curated by ChEMBL


Assay Description
Antagonist activity at LPA3 receptor expressed in rat RH7777 cells assessed as inhibition of LPA-induced intracellular calcium response


Bioorg Med Chem 17: 7457-64 (2009)


Article DOI: 10.1016/j.bmc.2009.09.022
BindingDB Entry DOI: 10.7270/Q2GB244M
More data for this
Ligand-Target Pair