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

InChI Key: InChIKey=ZZWNWKWFLZQDQV-PTGBLXJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023473   
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))		BDBM50023473
PNG
(CHEMBL3326527)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(F)c1
Show InChI InChI=1S/C18H18FN5O2/c1-26-13-6-7-14(15(19)8-13)16(25)18(23-12-4-2-3-5-12)24-17(21)11(9-20)10-22-24/h6-8,10,12H,2-5,21H2,1H3/b23-18+
PDB

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UniChem

Similars
Article
PubMed
n/an/a 74n/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