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BDBM50290422 4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide::4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]PHENYL}BENZAMIDE::CHEMBL56904

SMILES: CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1

InChI Key: InChIKey=JHMBUEWQJDGKGS-UHFFFAOYSA-N

Data: 1 KI  6 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 7 hits for monomerid = 50290422   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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160n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of v-Abl tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Breakpoint cluster region protein /Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a 100n/an/an/an/an/an/a



The First People's Hospital of Hangzhou

Curated by ChEMBL


Assay Description
Inhibition of BCR-ABL kinase (unknown origin)


Bioorg Med Chem Lett 23: 2442-50 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.113
BindingDB Entry DOI: 10.7270/Q2ZG6TMD
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a 4.75E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of the platelet-derived growth factor receptor.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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n/an/a 7.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of c-Src-tyrosine kinase.


Bioorg Med Chem Lett 7: 187-192 (1997)


Article DOI: 10.1016/S0960-894X(96)00601-4
BindingDB Entry DOI: 10.7270/Q23X86MF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)