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SMILES: COc1ccc(C(=O)C(=N/C2CCCCC2)\n2ncc(C#N)c2N)c(OC)c1

InChI Key: InChIKey=OYCGAARKRFRPNP-HIXSDJFHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023467   
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))		BDBM50023467
PNG
(CHEMBL3326533)
Show SMILES COc1ccc(C(=O)C(=N/C2CCCCC2)\n2ncc(C#N)c2N)c(OC)c1
Show InChI InChI=1S/C20H23N5O3/c1-27-15-8-9-16(17(10-15)28-2)18(26)20(24-14-6-4-3-5-7-14)25-19(22)13(11-21)12-23-25/h8-10,12,14H,3-7,22H2,1-2H3/b24-20+
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Article
PubMed
n/an/a 510n/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