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SMILES: CCc1ccc(cc1)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N

InChI Key: InChIKey=QZLFCPUPCIYQPO-FCDQGJHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023476   
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))		BDBM50023476
PNG
(CHEMBL3326524)
Show SMILES CCc1ccc(cc1)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
Show InChI InChI=1S/C19H21N5O/c1-2-13-7-9-14(10-8-13)17(25)19(23-16-5-3-4-6-16)24-18(21)15(11-20)12-22-24/h7-10,12,16H,2-6,21H2,1H3/b23-19+
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 586n/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