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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lysophosphatidic acid receptor 1' and Ligand = 'BDBM50398125'   
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 1


(Homo sapiens (Human))
BDBM50398125
PNG
(CHEMBL2182025)
Show SMILES CC(C)[C@@H](C)OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C26H29N3O4/c1-16(2)17(3)33-25(32)28-23-22(15-27-29(23)4)20-7-5-18(6-8-20)19-9-11-21(12-10-19)26(13-14-26)24(30)31/h5-12,15-17H,13-14H2,1-4H3,(H,28,32)(H,30,31)/t17-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 106n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair