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BDBM86626 JNK-IN-1

SMILES: CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1

InChI Key: InChIKey=YFRXAAWSVLQGDR-FNORWQNLSA-N

Data: 6 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 86626   
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
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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Article
PubMed
n/an/a 7.78E+3n/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)

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


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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Article
PubMed
n/an/a 4.23E+3n/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)

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


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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Article
PubMed
n/an/a 4.23E+3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK2 (unknown origin) after 1 hr incubation


J Med Chem 58: 72-95 (2015)

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


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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Article
PubMed
n/an/a 7.75E+3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK3 (unknown origin) after 1 hr incubation


J Med Chem 58: 72-95 (2015)

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


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
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Article
PubMed
n/an/a 7.78E+3n/an/an/an/an/an/a



Eberhard Karls Universit£t T£bingen

Curated by ChEMBL


Assay Description
Inhibition of JNK1 (unknown origin) after 1 hr incubation


J Med Chem 58: 72-95 (2015)

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


(Homo sapiens (human))
BDBM86626
PNG
(JNK-IN-1)
Show SMILES CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1
Show InChI InChI=1S/C29H29N7O2/c1-20-8-11-24(18-26(20)35-29-31-16-14-25(34-29)22-6-4-15-30-19-22)33-28(38)21-9-12-23(13-10-21)32-27(37)7-5-17-36(2)3/h4-16,18-19H,17H2,1-3H3,(H,32,37)(H,33,38)(H,31,34,35)/b7-5+
PDB
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Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 7.75E+3n/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)

More data for this
Ligand-Target Pair