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4 similar compounds to monomer 50008705

Compile data set for download or QSAR
Wt: 364.3
BDBM50422612
Wt: 338.7
BDBM50422613
Wt: 318.3
BDBM50422615
Wt: 368.8
BDBM50422617

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50422612,50422613,50422615,50422617   
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))
BDBM50422612
PNG
(CHEMBL190747)
Show SMILES COc1ccc(OC)c(CNC(=O)c2cccnc2Oc2ccccc2)c1
Show InChI InChI=1S/C21H20N2O4/c1-25-17-10-11-19(26-2)15(13-17)14-23-20(24)18-9-6-12-22-21(18)27-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,23,24)
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Article
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme)


Bioorg Med Chem Lett 15: 3459-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.008
BindingDB Entry DOI: 10.7270/Q2QC04SW
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50422617
PNG
(CHEMBL188504)
Show SMILES COc1ccc(Oc2ncccc2C(=O)NCc2ccccc2Cl)cc1
Show InChI InChI=1S/C20H17ClN2O3/c1-25-15-8-10-16(11-9-15)26-20-17(6-4-12-22-20)19(24)23-13-14-5-2-3-7-18(14)21/h2-12H,13H2,1H3,(H,23,24)
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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme)


Bioorg Med Chem Lett 15: 3459-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.008
BindingDB Entry DOI: 10.7270/Q2QC04SW
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50422615
PNG
(CHEMBL190812)
Show SMILES C[C@H](NC(=O)c1cccnc1Oc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N2O2/c1-15(16-9-4-2-5-10-16)22-19(23)18-13-8-14-21-20(18)24-17-11-6-3-7-12-17/h2-15H,1H3,(H,22,23)/t15-/m0/s1
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PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme)


Bioorg Med Chem Lett 15: 3459-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.008
BindingDB Entry DOI: 10.7270/Q2QC04SW
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM50422613
PNG
(CHEMBL186995)
Show SMILES Clc1ccccc1CNC(=O)c1cccnc1Oc1ccccc1
Show InChI InChI=1S/C19H15ClN2O2/c20-17-11-5-4-7-14(17)13-22-18(23)16-10-6-12-21-19(16)24-15-8-2-1-3-9-15/h1-12H,13H2,(H,22,23)
PDB
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NCI pathway
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UniChem

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Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative log of inhibitiory concentration determined against c-Jun N-terminal kinase (Activity reported against the isolated JNK-1 enzyme)


Bioorg Med Chem Lett 15: 3459-62 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.008
BindingDB Entry DOI: 10.7270/Q2QC04SW
More data for this
Ligand-Target Pair