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SMILES: Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1cccc(Cl)c1Cl

InChI Key: InChIKey=ZHYLCLLSWFBKEF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024264   
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
Mitogen-activated protein kinase 11/12/13/14


(Homo sapiens (Human))		BDBM50024264
PNG
(CHEMBL332391)
Show SMILES Cc1ccccc1N1N=C(CCC1=O)c1c(nc2ccccn12)-c1cccc(Cl)c1Cl |c:9|
Show InChI InChI=1S/C24H18Cl2N4O/c1-15-7-2-3-10-19(15)30-21(31)13-12-18(28-30)24-23(16-8-6-9-17(25)22(16)26)27-20-11-4-5-14-29(20)24/h2-11,14H,12-13H2,1H3
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PC cid
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Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tumor necrosis factor alpha release from LPS-induced THP-1 cells by ELISA

J Med Chem 46: 349-52 (2003)


Article DOI: 10.1021/jm025585h
BindingDB Entry DOI: 10.7270/Q27P8XRR
More data for this
Ligand-Target Pair