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BDBM29896 1,7-naphthyridine-3-carbonitrile, 1::CHEMBL197538

SMILES: Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl

InChI Key: InChIKey=IXQLEZDNYJWUTR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 29896   
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))
BDBM29896
PNG
(1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)
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n/an/a 1.20E+3n/an/an/an/a7.230



Wyeth Research



Assay Description
Tpl2/Cot activity was directly assayed using GST-MEK1 as a substrate. The phosphorylation on serine residues 217 and 221 of GST-MEK1 was detected by ...


Bioorg Med Chem Lett 19: 3485-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.009
BindingDB Entry DOI: 10.7270/Q2HT2MN8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM29896
PNG
(1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)
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n/an/a 1.20E+3n/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
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM29896
PNG
(1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)
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n/an/a 1.20E+3n/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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM29896
PNG
(1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)
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n/an/a 1.50E+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
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM29896
PNG
(1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)
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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 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM29896
PNG
(1,7-naphthyridine-3-carbonitrile, 1 | CHEMBL197538)
Show SMILES Fc1ccc(Nc2c(cnc3cnc(NCCN4CCOCC4)cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClFN6O/c22-17-9-15(1-2-18(17)23)28-21-14(11-24)12-26-19-13-27-20(10-16(19)21)25-3-4-29-5-7-30-8-6-29/h1-2,9-10,12-13H,3-8H2,(H,25,27)(H,26,28)
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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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
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