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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 222.2
BDBM13346
Purchase
Wt: 223.2
BDBM13347
Wt: 222.2
BDBM13352
Wt: 200.2
BDBM13337
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Wt: 185.2
BDBM13338
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Wt: 220.2
BDBM16018
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Wt: 185.2
BDBM50005201
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Wt: 238.2
BDBM50116033
Wt: 235.2
BDBM50132977
Wt: 221.2
BDBM50132978
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Wt: 235.2
BDBM50194693
Wt: 147.1
BDBM50209771
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Wt: 171.1
BDBM50350909
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Wt: 223.6
BDBM50415623
Wt: 228.2
BDBM50134589
Displayed 1 to 15 (of 4307 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 48 hits in this display   
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
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50209771
PNG
(3,4-dihydroquinolin-2(1H)-one | CHEMBL388582 | Dih...)
Show SMILES O=C1CCc2ccccc2N1
Show InChI InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)
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n/an/a 0.740n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38alpha


Bioorg Med Chem 18: 2204-18 (2010)


Article DOI: 10.1016/j.bmc.2010.01.070
BindingDB Entry DOI: 10.7270/Q27945MJ
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 3


(Homo sapiens (Human))
BDBM50134589
PNG
(CHEMBL3747095)
Show SMILES CNc1ccc(nc1C(N)=O)-c1ccncc1
Show InChI InChI=1S/C12H12N4O/c1-14-10-3-2-9(16-11(10)12(13)17)8-4-6-15-7-5-8/h2-7,14H,1H3,(H2,13,17)
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n/an/a 4n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of MKK3 (unknown origin) using [gamma-33P]-ATP after 20 mins by radiometric assay


Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK1


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK2


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 68n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of JNK3


J Med Chem 53: 3005-12 (2010)


Article DOI: 10.1021/jm9003279
BindingDB Entry DOI: 10.7270/Q2KS6RP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
SRC


(Homo sapiens (human))
BDBM50194693
PNG
(6-o-tolylquinazolin-2-amine | CHEMBL215952)
Show SMILES Cc1ccccc1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C15H13N3/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-17-15(16)18-14/h2-9H,1H3,(H2,16,17,18)
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n/an/a 94n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4715-32 (2008)


Article DOI: 10.1016/j.bmc.2008.02.027
BindingDB Entry DOI: 10.7270/Q2JS9R8M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 150n/an/an/an/a7.022



Merck Research Laboratories



Assay Description
HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...


Chem Biol 10: 705-12 (2003)


Article DOI: 10.1016/S1074-5521(03)00159-5
BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 190n/an/an/an/an/an/a



Harvard Medical School



Assay Description
The binding results were confirmed by measuring IC50 for the inhibition of JNK kinase activity by using Z'-LYTE assay format.


Chem Biol 19: 140-54 (2012)


Article DOI: 10.1016/j.chembiol.2011.11.010
BindingDB Entry DOI: 10.7270/Q2K35S8X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JNK3


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 220n/an/an/an/an/an/a



The Scripps Research Institute





ACS Chem Biol 8: 1747-54 (2013)


Article DOI: 10.1021/cb3006165
BindingDB Entry DOI: 10.7270/Q25719PN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50116033
PNG
(2-(4-Fluorophenyl)-3-(pyridin-4-yl)-1H-pyrrole | 4...)
Show SMILES Fc1ccc(cc1)-c1[nH]ccc1-c1ccncc1
Show InChI InChI=1S/C15H11FN2/c16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h1-10,18H
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n/an/a 420n/an/an/an/an/an/a



Islamic University of Gaza

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAP kinase (unknown origin)


J Med Chem 52: 2613-7 (2009)


Article DOI: 10.1021/jm801467h
BindingDB Entry DOI: 10.7270/Q21Z449S
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132977
PNG
(2-Methyl-6-(4-phenyl-1H-pyrazol-3-yl)-pyridine | C...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-11-6-5-9-14(17-11)15-13(10-16-18-15)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,18)
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n/an/a 543n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Transforming growth factor beta-1 receptor kinase (TGF-beta RIK)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
IRE1α


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 720n/an/an/an/a7.5n/a



University of Washington



Assay Description
Inhibitors (initial concentration 10 or 60 μM, three-fold serial dilutions) were incubated with IRE1α* in cleavage buffer (20 mM HEPES at p...


ACS Chem Biol 11: 2195-205 (2016)


Article DOI: 10.1021/acschembio.5b00940
BindingDB Entry DOI: 10.7270/Q2ZK5FGQ
More data for this
Ligand-Target Pair
MAP kinase p38


(Mus musculus (mouse))
BDBM50116033
PNG
(2-(4-Fluorophenyl)-3-(pyridin-4-yl)-1H-pyrrole | 4...)
Show SMILES Fc1ccc(cc1)-c1[nH]ccc1-c1ccncc1
Show InChI InChI=1S/C15H11FN2/c16-13-3-1-12(2-4-13)15-14(7-10-18-15)11-5-8-17-9-6-11/h1-10,18H
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n/an/a 800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vivo inhibition of murine Mitogen-activated protein kinase p38 alpha activity, GST-ATF-2 as substrate in the presence of 120 microM ATP


Bioorg Med Chem Lett 12: 2109-12 (2002)


Article DOI: 10.1016/s0960-894x(02)00336-0
BindingDB Entry DOI: 10.7270/Q2610ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 957n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit JAK3 RTK activity. The compounds were incubated with enzyme, 10 uM ATP, and ...


J Med Chem 51: 7015-9 (2008)


Article DOI: 10.1021/jm800662z
BindingDB Entry DOI: 10.7270/Q2S75DP0
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132977
PNG
(2-Methyl-6-(4-phenyl-1H-pyrazol-3-yl)-pyridine | C...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-11-6-5-9-14(17-11)15-13(10-16-18-15)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,18)
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n/an/a 2.16E+3n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50134589
PNG
(CHEMBL3747095)
Show SMILES CNc1ccc(nc1C(N)=O)-c1ccncc1
Show InChI InChI=1S/C12H12N4O/c1-14-10-3-2-9(16-11(10)12(13)17)8-4-6-15-7-5-8/h2-7,14H,1H3,(H2,13,17)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38alpha phosphorylation in human TNFalpha-stimulated U937 cells treated 1 hr before by ELISA


Bioorg Med Chem Lett 26: 1086-9 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.054
BindingDB Entry DOI: 10.7270/Q28K7BXV
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132977
PNG
(2-Methyl-6-(4-phenyl-1H-pyrazol-3-yl)-pyridine | C...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-11-6-5-9-14(17-11)15-13(10-16-18-15)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,18)
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n/an/a 3.37E+3n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50194693
PNG
(6-o-tolylquinazolin-2-amine | CHEMBL215952)
Show SMILES Cc1ccccc1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C15H13N3/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-17-15(16)18-14/h2-9H,1H3,(H2,16,17,18)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of p38-alpha by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132978
PNG
(2-(4-Phenyl-1H-pyrazol-3-yl)-pyridine | 2-(4-pheny...)
Show SMILES c1[nH]nc(c1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-10-16-17-14(12)13-8-4-5-9-15-13/h1-10H,(H,16,17)
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n/an/a 3.99E+3n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Transforming growth factor beta-1 receptor kinase (TGF-beta RIK)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132978
PNG
(2-(4-Phenyl-1H-pyrazol-3-yl)-pyridine | 2-(4-pheny...)
Show SMILES c1[nH]nc(c1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-10-16-17-14(12)13-8-4-5-9-15-13/h1-10H,(H,16,17)
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n/an/a 3.99E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of TGFR1


Eur J Med Chem 44: 4259-65 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.008
BindingDB Entry DOI: 10.7270/Q2BC3ZM9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50194693
PNG
(6-o-tolylquinazolin-2-amine | CHEMBL215952)
Show SMILES Cc1ccccc1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C15H13N3/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-17-15(16)18-14/h2-9H,1H3,(H2,16,17,18)
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n/an/a 4.97E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase


(Homo sapiens)
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Weill Cornell Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10 mins by luminescent assay


Bioorg Med Chem Lett 21: 4108-14 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.149
BindingDB Entry DOI: 10.7270/Q2KK9C4H
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132978
PNG
(2-(4-Phenyl-1H-pyrazol-3-yl)-pyridine | 2-(4-pheny...)
Show SMILES c1[nH]nc(c1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-10-16-17-14(12)13-8-4-5-9-15-13/h1-10H,(H,16,17)
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n/an/a>9.00E+3n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase production in mink lung cells (p3TP Lux)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens)
BDBM50132978
PNG
(2-(4-Phenyl-1H-pyrazol-3-yl)-pyridine | 2-(4-pheny...)
Show SMILES c1[nH]nc(c1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-10-16-17-14(12)13-8-4-5-9-15-13/h1-10H,(H,16,17)
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n/an/a 9.54E+3n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of transforming growth factor- beta dependent luciferase growth in mouse fibroblasts (NIH 3T3)


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50194693
PNG
(6-o-tolylquinazolin-2-amine | CHEMBL215952)
Show SMILES Cc1ccccc1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C15H13N3/c1-10-4-2-3-5-13(10)11-6-7-14-12(8-11)9-17-15(16)18-14/h2-9H,1H3,(H2,16,17,18)
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n/an/a 9.82E+3n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Jak3 by HTRF kinase assay


J Med Chem 49: 5671-86 (2006)


Article DOI: 10.1021/jm0605482
BindingDB Entry DOI: 10.7270/Q29G5MFD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of JNK3 in human PBMCs assessed as decrease in LPS-induced TNFalpha mRNA level after 4 hrs by real-time reverse transcription-PCR analysis


Bioorg Med Chem 21: 2271-85 (2013)


Article DOI: 10.1016/j.bmc.2013.02.021
BindingDB Entry DOI: 10.7270/Q29W0GVC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 using ATF2 substrate by TR-FRET assay


J Med Chem 54: 6206-14 (2011)


Article DOI: 10.1021/jm200479c
BindingDB Entry DOI: 10.7270/Q2668DMM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50415623
PNG
(CHEMBL1087810)
Show SMILES CCC1=NCCc2cc(OC)c(Cl)cc12
Show InChI InChI=1S/C12H14ClNO/c1-3-11-9-7-10(13)12(15-2)6-8(9)4-5-14-11/h6-7H,3-5H2,1-2H3
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n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His(6)-tagged truncated human JNK3 transfected in baculovirus expression system by fluorescence anisotropy


Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50415623
PNG
(CHEMBL1087810)
Show SMILES CCC1=NCCc2cc(OC)c(Cl)cc12
Show InChI InChI=1S/C12H14ClNO/c1-3-11-9-7-10(13)12(15-2)6-8(9)4-5-14-11/h6-7H,3-5H2,1-2H3
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n/an/a>1.58E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged p38alpha expressed in Escherichia coli by fluorescence anisotropy


Bioorg Med Chem Lett 19: 2230-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.098
BindingDB Entry DOI: 10.7270/Q2Z320WR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50132978
PNG
(2-(4-Phenyl-1H-pyrazol-3-yl)-pyridine | 2-(4-pheny...)
Show SMILES c1[nH]nc(c1-c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C14H11N3/c1-2-6-11(7-3-1)12-10-16-17-14(12)13-8-4-5-9-15-13/h1-10H,(H,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50132977
PNG
(2-Methyl-6-(4-phenyl-1H-pyrazol-3-yl)-pyridine | C...)
Show SMILES Cc1cccc(n1)-c1n[nH]cc1-c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-11-6-5-9-14(17-11)15-13(10-16-18-15)12-7-3-2-4-8-12/h2-10H,1H3,(H,16,18)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Mitogen-activated protein kinase p38


J Med Chem 46: 3953-6 (2003)


Article DOI: 10.1021/jm0205705
BindingDB Entry DOI: 10.7270/Q2RV0N38
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a>3.00E+4n/an/an/an/a7.022



Merck Research Laboratories



Assay Description
HTRF relies on fluorescence resonance energy transfer (FRET) between the donor, a europium cryptate (EuK), and the acceptor, the light harvesting pro...


Chem Biol 10: 705-12 (2003)


Article DOI: 10.1016/S1074-5521(03)00159-5
BindingDB Entry DOI: 10.7270/Q2DJ5CWZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13346
PNG
(3-(2-(4-Pyridyl)ethyl)indole | 3-[2-(pyridin-4-yl)...)
Show SMILES C(Cc1ccncc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2
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n/an/a 3.50E+4n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of human MAPK p38alpha


Bioorg Med Chem 18: 2204-18 (2010)


Article DOI: 10.1016/j.bmc.2010.01.070
BindingDB Entry DOI: 10.7270/Q27945MJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TPA: Essential protein of the mitochondrial intermembrane space


(Saccharomyces cerevisiae S288c)
BDBM16018
PNG
(14,15-diazatetracyclo[7.6.1.0^{2,7}.0^{13,16}]hexa...)
Show SMILES O=C1c2ccccc2-c2n[nH]c3cccc1c23
Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JQ0ZH4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50005201
PNG
(AMR-69 | PIRFENIDONE)
Show SMILES Cc1ccc(=O)n(c1)-c1ccccc1
Show InChI InChI=1S/C12H11NO/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11/h2-9H,1H3
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n/an/a 1.65E+5n/an/an/an/an/an/a



Zhejiang Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) up to 60 mins by ADP-Glo assay


Bioorg Med Chem Lett 24: 220-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.038
BindingDB Entry DOI: 10.7270/Q2PZ5BB0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13352
PNG
(1-(2-(4-Pyridyl)ethyl)indole | 1-[2-(pyridin-4-yl)...)
Show SMILES C(Cn1ccc2ccccc12)c1ccncc1
Show InChI InChI=1S/C15H14N2/c1-2-4-15-14(3-1)8-12-17(15)11-7-13-5-9-16-10-6-13/h1-6,8-10,12H,7,11H2
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n/an/a 1.85E+5n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/a 3.08E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leukotriene A4 hydrolase


(Homo sapiens (human))
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/a 6.19E+5n/an/an/an/an/an/a



deCODE biostructures, Inc.

Curated by ChEMBL


Assay Description
Inhibition of hydrolase activity of human recombinant LTA4H expressed in Escherichia coli BL21-AI/pRARE assessed as LTB4 formation by tandem quadrupo...


J Med Chem 52: 4694-715 (2009)


Article DOI: 10.1021/jm900259h
BindingDB Entry DOI: 10.7270/Q2F47P6N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50350909
PNG
(CHEMBL1650061)
Show SMILES N(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
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n/an/a>6.31E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of p38alpha expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay


J Med Chem 54: 5131-43 (2011)


Article DOI: 10.1021/jm200349b
BindingDB Entry DOI: 10.7270/Q2F47PHP
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50350909
PNG
(CHEMBL1650061)
Show SMILES N(c1ccccc1)c1ncccn1
Show InChI InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
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n/an/a>6.31E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of IKKbeta expressed in Escherichia coli or baculovirus-infected insect cells by TR-FRET assay


J Med Chem 54: 5131-43 (2011)


Article DOI: 10.1021/jm200349b
BindingDB Entry DOI: 10.7270/Q2F47PHP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13347
PNG
(3-(2-pyrimidin-4-ylethyl)-1H-indole | 3-[2-(pyrimi...)
Show SMILES C(Cc1ccncn1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H13N3/c1-2-4-14-13(3-1)11(9-16-14)5-6-12-7-8-15-10-17-12/h1-4,7-10,16H,5-6H2
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n/an/a 7.20E+5n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13338
PNG
(3-(benzyloxy)pyridine | Pyridine derived fragment ...)
Show SMILES C(Oc1cccnc1)c1ccccc1
Show InChI InChI=1S/C12H11NO/c1-2-5-11(6-3-1)10-14-12-7-4-8-13-9-12/h1-9H,10H2
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n/an/a 1.00E+6n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/a 1.30E+6n/an/an/an/a7.422



Astex



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab...


J Med Chem 48: 414-26 (2005)


Article DOI: 10.1021/jm049575n
BindingDB Entry DOI: 10.7270/Q26M352S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bcl-2-like protein 1


(Homo sapiens)
BDBM13337
PNG
(3-(benzyloxy)pyridin-2-amine | Pyridine derived fr...)
Show SMILES Nc1ncccc1OCc1ccccc1
Show InChI InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
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n/an/an/a 6.92E+5n/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Bcl-xL by 2D- NOESY analysis


J Med Chem 54: 6000-13 (2011)


Article DOI: 10.1021/jm200826s
BindingDB Entry DOI: 10.7270/Q2NC61M2
More data for this
Ligand-Target Pair