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Compile Data Set for Download or QSAR

Found 944 hits with Last Name = 'buchdunger' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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160n/an/an/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Competitive inhibition of ATP binding to EGF-R


J Med Chem 37: 1015-27 (1994)


BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3014
PNG
(3-((3-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C17H13ClN6O/c18-10-3-1-4-11(7-10)21-15-14-16(20-9-19-15)23-24-17(14)22-12-5-2-6-13(25)8-12/h1-9,25H,(H3,19,20,21,22,23,24)
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n/an/a 1n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3029
PNG
(3-(4-Aminophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...)
Show SMILES Nc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H13ClN6/c18-11-2-1-3-13(8-11)22-16-14-15(10-4-6-12(19)7-5-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549341
PNG
(CHEMBL4757361)
Show SMILES COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2CCOCC2(C)C)cc1Cl
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549337
PNG
(CHEMBL4748505)
Show SMILES COc1ncc(NC(=O)Nc2cnc3ccc(cc3c2N(C)C2CCOCC2)C#N)cc1Cl
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM3023
PNG
(3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3016
PNG
(3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)...)
Show SMILES Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C17H14ClN7/c18-10-2-1-3-13(8-10)23-15-14-16(21-9-20-15)24-25-17(14)22-12-6-4-11(19)5-7-12/h1-9H,19H2,(H3,20,21,22,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549339
PNG
(CHEMBL4796575)
Show SMILES COc1ncc(NC(=O)Nc2cnc3ccc(cc3c2N2CCOC[C@@H]2C)C#N)cc1Cl |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3027
PNG
(3-(3-Aminophenyl)-4-((3-chlorophenyl)amino)-1H-pyr...)
Show SMILES Nc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H13ClN6/c18-11-4-2-6-13(8-11)22-16-14-15(10-3-1-5-12(19)7-10)23-24-17(14)21-9-20-16/h1-9H,19H2,(H2,20,21,22,23,24)
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n/an/a 5n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3025
PNG
(3-(4-Hydroxyphenyl)-4-((3-chlorophenyl)amino)pyraz...)
Show SMILES Oc1ccc(cc1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H12ClN5O/c18-11-2-1-3-12(8-11)21-16-14-15(10-4-6-13(24)7-5-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549338
PNG
(CHEMBL4765158)
Show SMILES COc1ccc(NC(=O)Nc2cnc3ccc(cc3c2N2CCOC[C@@H]2C)C#N)cc1Cl |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549342
PNG
(CHEMBL4795909)
Show SMILES CC1(C)COCCN1c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
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CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549343
PNG
(CHEMBL4754690)
Show SMILES COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2[C@@H](C)COC[C@@H]2C)cc1Cl |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3018
PNG
(3-(Benzylamino)-4-((3-chlorophenyl)amino)-1H-pyraz...)
Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(NCc4ccccc4)c23)c1
Show InChI InChI=1S/C18H15ClN6/c19-13-7-4-8-14(9-13)23-16-15-17(24-25-18(15)22-11-21-16)20-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H3,20,21,22,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3021
PNG
(3-((4-Methoxybenzyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C19H17ClN6O/c1-27-15-7-5-12(6-8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
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n/an/a 7n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3012
PNG
(3-((4-Hydroxyphenyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C17H13ClN6O/c18-10-2-1-3-12(8-10)22-15-14-16(20-9-19-15)23-24-17(14)21-11-4-6-13(25)7-5-11/h1-9,25H,(H3,19,20,21,22,23,24)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549336
PNG
(CHEMBL4785146)
Show SMILES COc1ccc(NC(=O)Nc2cnc3ccc(cc3c2N(C)C2CCOCC2)C#N)cc1Cl
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3013
PNG
(3-((3-Methoxyphenyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C18H15ClN6O/c1-26-14-7-3-6-13(9-14)23-18-15-16(20-10-21-17(15)24-25-18)22-12-5-2-4-11(19)8-12/h2-10H,1H3,(H3,20,21,22,23,24,25)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3020
PNG
(3-((3-Methoxybenzyl)amino)-4-((3-chlorophenyl)amin...)
Show SMILES COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C19H17ClN6O/c1-27-15-7-2-4-12(8-15)10-21-18-16-17(22-11-23-19(16)26-25-18)24-14-6-3-5-13(20)9-14/h2-9,11H,10H2,1H3,(H3,21,22,23,24,25,26)
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n/an/a 8n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549327
PNG
(CHEMBL4796225)
Show SMILES C[C@H]1COC[C@H](C)N1c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50287090
PNG
(4-Chloro-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H18ClN5O/c1-15-4-9-19(27-22(30)16-5-7-18(24)8-6-16)13-21(15)29-23-26-12-10-20(28-23)17-3-2-11-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051302
PNG
((3-Chloro-phenyl)-(5-methyl-6-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1c([nH]c2ncnc(Nc3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C19H15ClN4/c1-12-16-18(23-15-9-5-8-14(20)10-15)21-11-22-19(16)24-17(12)13-6-3-2-4-7-13/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50287090
PNG
(4-Chloro-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1Nc1nccc(n1)-c1cccnc1
Show InChI InChI=1S/C23H18ClN5O/c1-15-4-9-19(27-22(30)16-5-7-18(24)8-6-16)13-21(15)29-23-26-12-10-20(28-23)17-3-2-11-25-14-17/h2-14H,1H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(PDGF-R)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase(PDGF-R)


Bioorg Med Chem Lett 6: 1221-1226 (1996)


Article DOI: 10.1016/0960-894X(96)00197-7
BindingDB Entry DOI: 10.7270/Q2348KBG
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088905
PNG
(2-(3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-6-2-1-3-7-16)13-26(21(19)25-14-24-20)17-8-4-5-15(11-17)12-23-9-10-27/h1-8,11,13-14,23,27H,9-10,12H2,(H2,22,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Homo sapiens (Human))
BDBM50175491
PNG
(4-Methyl-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C24H21N5O/c1-16-5-8-18(9-6-16)23(30)27-20-10-7-17(2)22(14-20)29-24-26-13-11-21(28-24)19-4-3-12-25-15-19/h3-15H,1-2H3,(H,27,30)(H,26,28,29)
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n/an/a 10n/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
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549340
PNG
(CHEMBL4795854)
Show SMILES COc1ncc(NC(=O)Nc2cnc3cc(Br)nn3c2N2CCOC[C@@H]2C)cc1Cl |r|
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3022
PNG
(4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 23...)
Show SMILES Clc1cccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)c1
Show InChI InChI=1S/C17H12ClN5/c18-12-7-4-8-13(9-12)21-16-14-15(11-5-2-1-3-6-11)22-23-17(14)20-10-19-16/h1-10H,(H2,19,20,21,22,23)
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n/an/a 19n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2


(Homo sapiens (Human))
BDBM50088900
PNG
(5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of PDGF-receptor kinase


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088898
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088909
PNG
((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051312
PNG
((3-Bromo-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
Show InChI InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3023
PNG
(3-{4-[(3-chlorophenyl)amino]-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Oc1cccc(c1)-c1[nH]nc2ncnc(Nc3cccc(Cl)c3)c12
Show InChI InChI=1S/C17H12ClN5O/c18-11-4-2-5-12(8-11)21-16-14-15(10-3-1-6-13(24)7-10)22-23-17(14)20-9-19-16/h1-9,24H,(H2,19,20,21,22,23)
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n/an/a 26n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3019
PNG
(3-((3-Chlorobenzyl)amino)-4-((3-chlorophenyl)amino...)
Show SMILES Clc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1
Show InChI InChI=1S/C18H14Cl2N6/c19-12-4-1-3-11(7-12)9-21-17-15-16(22-10-23-18(15)26-25-17)24-14-6-2-5-13(20)8-14/h1-8,10H,9H2,(H3,21,22,23,24,25,26)
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n/an/a 26n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549332
PNG
(CHEMBL4786633)
Show SMILES Clc1cc(NC(=O)N[C@H]2COc3ccc(Br)cc3C2)ccc1-n1cncn1 |r|
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051317
PNG
((3-Chloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 27n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50051297
PNG
((3-Chloro-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H15ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H2,18,19,20,21)
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n/an/a 29n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549335
PNG
(CHEMBL4798110)
Show SMILES COc1ccc(NC(=O)Nc2cnc3ccc(Br)cc3c2Cl)cc1Cl
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3017
PNG
(3-((4-(Dimethylamino)phenyl)amino)-4-((3-chlorophe...)
Show SMILES CN(C)c1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C19H18ClN7/c1-27(2)15-8-6-13(7-9-15)23-19-16-17(21-11-22-18(16)25-26-19)24-14-5-3-4-12(20)10-14/h3-11H,1-2H3,(H3,21,22,23,24,25,26)
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n/an/a 29n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088899
PNG
(2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088912
PNG
(2-(4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-4-2-1-3-5-16)13-26(21(19)25-14-24-20)17-8-6-15(7-9-17)12-23-10-11-27/h1-9,13-14,23,27H,10-12H2,(H2,22,24,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl


(Abelson murine leukemia virus)
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3011
PNG
(3-((4-Methoxyphenyl)-amino)-4-((3-chlorophenyl)ami...)
Show SMILES COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1
Show InChI InChI=1S/C18H15ClN6O/c1-26-14-7-5-12(6-8-14)22-18-15-16(20-10-21-17(15)24-25-18)23-13-4-2-3-11(19)9-13/h2-10H,1H3,(H3,20,21,22,23,24,25)
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Novartis Pharmaceuticals



Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe...


J Med Chem 40: 3601-16 (1997)


Article DOI: 10.1021/jm970124v
BindingDB Entry DOI: 10.7270/Q2H70D0N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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NCI pathway
Reactome pathway
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm9909443
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50088903
PNG
(2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested for inhibition of protein tyrosine kinase c-Src phosphorylation


Bioorg Med Chem Lett 10: 945-9 (2000)


BindingDB Entry DOI: 10.7270/Q2R78DG4
More data for this
Ligand-Target Pair
Mucosa-associated lymphoid tissue lymphoma translocation protein 1


(Homo sapiens (Human))
BDBM50549333
PNG
(CHEMBL4747104)
Show SMILES COc1ncc(NC(=O)NC2COc3ccc(Br)cc3C2)cc1Cl
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TBA

Assay Description
Allosteric inhibition of human wild-type full-length MALT1 (329 to 824 residues) protease activity using Ac-Leu-Arg-Ser-Arg Rh110-dPro as substrate p...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01245
BindingDB Entry DOI: 10.7270/Q2S1864D
More data for this
Ligand-Target Pair
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