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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 = 'BDBM50023469'   
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))		BDBM50023469
PNG
(CHEMBL3326532)
Show SMILES COc1cc2CCCc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C21H23N5O2/c1-28-18-10-14-6-4-5-13(14)9-17(18)19(27)21(25-16-7-2-3-8-16)26-20(23)15(11-22)12-24-26/h9-10,12,16H,2-8,23H2,1H3/b25-21+
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 825n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human LPA1R expressed in Chem-1 cells assessed as inhibition of lysophosphatidic acid-induced calcium mobilization by FLIPR as...

Bioorg Med Chem Lett 24: 4450-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.001
BindingDB Entry DOI: 10.7270/Q2445P1V
More data for this
Ligand-Target Pair