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BDBM50128294 CHEMBL3629013

SMILES: N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1

InChI Key: InChIKey=GMTAOJMPNXLKJI-UHFFFAOYSA-N

Data: 1 KI  16 IC50

PDB links: 1 PDB ID matches this monomer.

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 17 hits for monomerid = 50128294   
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 12


(Homo sapiens)
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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42n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba...


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens)
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 536n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Dox inducible human DLK transfected in HEK293 cells assessed as reduction in JNK phosphorylation incubated for 5.5 hrs measured by Hoec...


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 9


(Homo sapiens (Human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens)
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLK2 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens)
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MLK3 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 5.70E+4n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CSF1R (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 3.22E+5n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 6.82E+5n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 5.34E+5n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Kit (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 1.01E+6n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 4.64E+5n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 1.19E+6n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TrkB (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens)
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MKK4 (unknown origin) using KFMMTPpYVVTR substrate incubated for 1 hr measured by MpTPpYV probe-based fluorescence polarization assay


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)


(Homo sapiens (Human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a>5.00E+3n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MKK7 (unknown origin) using KFMMTPpYVVTR substrate incubated for 1 hr measured by MpTPpYV probe-based fluorescence polarization assay


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 1.04E+3n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 5.00E+3n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50128294
PNG
(CHEMBL3629013)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C22H28N6O/c23-13-16-5-8-24-21(11-16)25-22-12-20(28(26-22)18-3-1-2-4-18)17-6-9-27(10-7-17)19-14-29-15-19/h5,8,11-12,17-19H,1-4,6-7,9-10,14-15H2,(H,24,25,26)
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n/an/a 2.10E+3n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) by FRET method


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair