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SMILES: COC(=O)[C@H](CCCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1

InChI Key: InChIKey=AOXVKYVXUYROPE-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50264197   
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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2


(Mus musculus)		BDBM50264197
PNG
(CHEMBL4094633)
Show SMILES COC(=O)[C@H](CCCC(=O)NO)NC(=O)CCCCC(=O)Nc1ccccc1 |r|
Show InChI InChI=1S/C19H27N3O6/c1-28-19(26)15(10-7-13-18(25)22-27)21-17(24)12-6-5-11-16(23)20-14-8-3-2-4-9-14/h2-4,8-9,15,27H,5-7,10-13H2,1H3,(H,20,23)(H,21,24)(H,22,25)/t15-/m0/s1
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse ATX-beta using LPC 16:0 as substrate by Amplex Red PLD assay

J Med Chem 61: 3697-3711 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00232
BindingDB Entry DOI: 10.7270/Q2Q52S3G
More data for this
Ligand-Target Pair