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BDBM50173850 6-(benzylamino)-4-(3-chloro-4-fluorophenylamino)-1,7-naphthyridine-3-carbonitrile::CHEMBL200247

SMILES: Fc1ccc(Nc2c(cnc3cnc(NCc4ccccc4)cc23)C#N)cc1Cl

InChI Key: InChIKey=NGQDSIIBTBUSAP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50173850   
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))
BDBM50173850
PNG
(6-(benzylamino)-4-(3-chloro-4-fluorophenylamino)-1...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4ccccc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H15ClFN5/c23-18-8-16(6-7-19(18)24)29-22-15(10-25)12-26-20-13-28-21(9-17(20)22)27-11-14-4-2-1-3-5-14/h1-9,12-13H,11H2,(H,26,29)(H,27,28)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50173850
PNG
(6-(benzylamino)-4-(3-chloro-4-fluorophenylamino)-1...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4ccccc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H15ClFN5/c23-18-8-16(6-7-19(18)24)29-22-15(10-25)12-26-20-13-28-21(9-17(20)22)27-11-14-4-2-1-3-5-14/h1-9,12-13H,11H2,(H,26,29)(H,27,28)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human Tpl2 kinase via quantification of MEK phosphorylation


Bioorg Med Chem Lett 15: 5288-92 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.029
BindingDB Entry DOI: 10.7270/Q2JS9Q0M
More data for this
Ligand-Target Pair