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SMILES: COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(OC)c1

InChI Key: InChIKey=XVOGPAPNMWKGRQ-FCDQGJHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023477   
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
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))		BDBM50023477
PNG
(CHEMBL3326523)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C19H21N5O3/c1-26-14-7-8-15(16(9-14)27-2)17(25)19(23-13-5-3-4-6-13)24-18(21)12(10-20)11-22-24/h7-9,11,13H,3-6,21H2,1-2H3/b23-19+
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Similars
Article
PubMed
n/an/a 79n/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