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2 similar compounds to monomer 50032749

Wt: 463.9
BDBM50032748
Wt: 490.9
BDBM50032821

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50032748,50032821   
Target
(Institution)
LigandTarget
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
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50032748
PNG
(CHEMBL3355174)
Show SMILES CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C23H22ClN7O2/c1-15(2)30-13-17(11-25-30)27-22(32)16-6-5-7-19(10-16)31-14-18(12-26-31)28-23(33)29-21-9-4-3-8-20(21)24/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)
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n/an/a 3.25E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3 in human SH-SY5Y cells assessed as reduction in c-Jun phosphorylation by Western blot assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50032748
PNG
(CHEMBL3355174)
Show SMILES CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C23H22ClN7O2/c1-15(2)30-13-17(11-25-30)27-22(32)16-6-5-7-19(10-16)31-14-18(12-26-31)28-23(33)29-21-9-4-3-8-20(21)24/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)
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n/an/a 3.62E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p38alpha (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50032748
PNG
(CHEMBL3355174)
Show SMILES CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C23H22ClN7O2/c1-15(2)30-13-17(11-25-30)27-22(32)16-6-5-7-19(10-16)31-14-18(12-26-31)28-23(33)29-21-9-4-3-8-20(21)24/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)
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n/an/a 114n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50032821
PNG
(CHEMBL3355178)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
Show InChI InChI=1/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35)
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n/an/a 210n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50032748
PNG
(CHEMBL3355174)
Show SMILES CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C23H22ClN7O2/c1-15(2)30-13-17(11-25-30)27-22(32)16-6-5-7-19(10-16)31-14-18(12-26-31)28-23(33)29-21-9-4-3-8-20(21)24/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)
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n/an/a 5.05E+3n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50032821
PNG
(CHEMBL3355178)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
Show InChI InChI=1/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35)
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n/an/a 528n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50032748
PNG
(CHEMBL3355174)
Show SMILES CC(C)n1cc(NC(=O)c2cccc(c2)-n2cc(NC(=O)Nc3ccccc3Cl)cn2)cn1
Show InChI InChI=1S/C23H22ClN7O2/c1-15(2)30-13-17(11-25-30)27-22(32)16-6-5-7-19(10-16)31-14-18(12-26-31)28-23(33)29-21-9-4-3-8-20(21)24/h3-15H,1-2H3,(H,27,32)(H2,28,29,33)
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Article
PubMed
n/an/a 158n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50032821
PNG
(CHEMBL3355178)
Show SMILES Clc1ccccc1NC(=O)Nc1cnn(c1)-c1cccc(c1)C(=O)Nc1cnn(c1)C1CCNC1
Show InChI InChI=1/C24H23ClN8O2/c25-21-6-1-2-7-22(21)31-24(35)30-18-12-27-32(15-18)19-5-3-4-16(10-19)23(34)29-17-11-28-33(14-17)20-8-9-26-13-20/h1-7,10-12,14-15,20,26H,8-9,13H2,(H,29,34)(H2,30,31,35)
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n/an/a<1n/an/an/an/an/an/a



Translational Research Institute

Curated by ChEMBL


Assay Description
Inhibition of JNK3alpha1 (unknown origin) after 1 hr by homogeneous time-resolved fluorescence assay


J Med Chem 57: 10013-30 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)