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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 = 'BDBM50195778'   
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))
BDBM50195778
PNG
(CHEMBL3971582)
Show SMILES COc1cc(cc(OC)c1C)C(=O)N(CCCc1ccccc1)Cc1ccc(Oc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C33H33NO6/c1-23-30(38-2)20-26(21-31(23)39-3)32(35)34(19-9-12-24-10-5-4-6-11-24)22-25-15-17-27(18-16-25)40-29-14-8-7-13-28(29)33(36)37/h4-8,10-11,13-18,20-21H,9,12,19,22H2,1-3H3,(H,36,37)
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PC sid
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Article
PubMed
n/an/a 71n/an/an/an/an/an/a



ONO Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1 receptor expressed in CHO cells assessed as reduction in LPA-induced intracellular Ca2+ concentration pretreated wi...


ACS Med Chem Lett 7: 913-918 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00225
BindingDB Entry DOI: 10.7270/Q2X350FR
More data for this
Ligand-Target Pair