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BDBM50334268 CHEMBL1642655::CHEMBL2205637::N-(6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl)-4-tert-butylbenzamide

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1

InChI Key: InChIKey=SMJAMOAYGIVKRI-UHFFFAOYSA-N

Data: 23 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 23 hits for monomerid = 50334268   
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
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



PharmaDesign Inc

Curated by ChEMBL


Assay Description
Inhibition of ASK1 assessed as phosphorylated fluorescent peptide by mobility shift assay


Bioorg Med Chem 19: 486-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.004
BindingDB Entry DOI: 10.7270/Q2JH3MGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Apoptosis Signal-regulating Kinase 1 (ASK1)


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal FLAG-tagged ASK1 expressed in baculovirus infected Sf2 cells after 60 mins by scintillation co...


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 155n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II.


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 6


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 510n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ASK2


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 832n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human His-tagged GSK3B expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 4.90E+3n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 6.46E+3n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged MER cytoplasmic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of TAK1


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of ERK1


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of JNK1


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of MEKK1


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of BRAF


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PKCtheta


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 22: 7326-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.084
BindingDB Entry DOI: 10.7270/Q2M32WXV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged RET cytoplasmic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of PRKAA1 (unknown origin)


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase erbB-4


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged ERBB4 cytoplasmic domain (708 to 993 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged RON cytoplasmic domain expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Ephrin type-A receptor 3 (EPHA3)


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged EPHA3 cytoplasmic domain (569 to 976 residues) expressed in baculovirus expression system


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50334268
PNG
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1
Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27)
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n/an/a<2.00E+4n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV.


Bioorg Med Chem Lett 27: 1709-1713 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6
More data for this
Ligand-Target Pair