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BDBM50325368 (S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(pyrrolidin-2-ylmethyl)benzamide::CHEMBL1222992

SMILES: Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1

InChI Key: InChIKey=ZDRUVHBRKQJQIU-RNZRUAGMNA-N

Data: 7 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 7 hits for monomerid = 50325368   
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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a>4.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKKalpha after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDK1 after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a 190n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of purified His-tagged IKK-beta after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a 7.80E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant p38alpha after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50325368
PNG
((S)-4-(6-(3-chlorobenzylamino)imidazo[1,2-b]pyrida...)
Show SMILES Clc1cccc(CNc2ccc3ncc(-c4ccc(cc4)C(=O)NC[C@@H]4CCCN4)n3n2)c1
Show InChI InChI=1/C25H25ClN6O/c26-20-4-1-3-17(13-20)14-28-23-10-11-24-29-16-22(32(24)31-23)18-6-8-19(9-7-18)25(33)30-15-21-5-2-12-27-21/h1,3-4,6-11,13,16,21,27H,2,5,12,14-15H2,(H,28,31)(H,30,33)/t21-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant GSK3-beta after 15 mins


Bioorg Med Chem Lett 20: 5113-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.026
BindingDB Entry DOI: 10.7270/Q2513ZDM
More data for this
Ligand-Target Pair