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BDBM50195013 6-((1H-imidazol-4-yl)methylamino)-4-(3-chloro-4-fluorophenylamino)-7-(trifluoromethoxy)quinoline-3-carbonitrile::CHEMBL374258

SMILES: Fc1ccc(Nc2c(cnc3cc(OC(F)(F)F)c(NCc4cnc[nH]4)cc23)C#N)cc1Cl

InChI Key: InChIKey=MNDBELVMDYVKLG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50195013   
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 kinase kinase 8


(Homo sapiens (Human))
BDBM50195013
PNG
(6-((1H-imidazol-4-yl)methylamino)-4-(3-chloro-4-fl...)
Show SMILES Fc1ccc(Nc2c(cnc3cc(OC(F)(F)F)c(NCc4cnc[nH]4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H13ClF4N6O/c22-15-3-12(1-2-16(15)23)32-20-11(6-27)7-29-17-5-19(33-21(24,25)26)18(4-14(17)20)30-9-13-8-28-10-31-13/h1-5,7-8,10,30H,9H2,(H,28,31)(H,29,32)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2 kinase by ELISA


Bioorg Med Chem Lett 16: 6067-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.102
BindingDB Entry DOI: 10.7270/Q2W958TR
More data for this
Ligand-Target Pair