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BDBM50173832 4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylmethylamino)-1,7-naphthyridine-3-carbonitrile::4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylmethylamino)-[1,7]naphthyridine-3-carbonitrile::4-[(3-chloro-4-fluorophenyl)amino]-6-{[(1R)-1-phenylethyl]amino}-[1,7]naphthyridine-3-carbonitril::CHEMBL200381

SMILES: Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl

InChI Key: InChIKey=NMEUKWOOQOHUNA-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50173832   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50173832
PNG
(4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylme...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Src


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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50173832
PNG
(4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylme...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
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n/an/a 50n/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
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens (Human))
BDBM50173832
PNG
(4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylme...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
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n/an/a 250n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50173832
PNG
(4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylme...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MK2


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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50173832
PNG
(4-(3-chloro-4-fluorophenylamino)-6-(pyridin-3-ylme...)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCc4cccnc4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H14ClFN6/c22-17-6-15(3-4-18(17)23)29-21-14(8-24)11-26-19-12-28-20(7-16(19)21)27-10-13-2-1-5-25-9-13/h1-7,9,11-12H,10H2,(H,26,29)(H,27,28)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity against MEK


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