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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 10' and Ligand = 'BDBM50430438'   
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 10


(Homo sapiens (Human))
BDBM50430438
PNG
(CHEMBL2335068)
Show SMILES Clc1ccc(cc1Cl)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|
Show InChI InChI=1S/C26H24Cl2N6O/c27-19-10-9-17(14-20(19)28)24-31-21-5-1-2-6-22(21)34(24)23-11-12-29-26(32-23)30-18-4-3-13-33(15-18)25(35)16-7-8-16/h1-2,5-6,9-12,14,16,18H,3-4,7-8,13,15H2,(H,29,30,32)/t18-/m1/s1
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.69E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6X-tagged human recombinant JNK3 catalytic domain expressed in Escherichia coli BL21 (DE3) by surface plasmon reson...


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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50430438
PNG
(CHEMBL2335068)
Show SMILES Clc1ccc(cc1Cl)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)n1 |r|
Show InChI InChI=1S/C26H24Cl2N6O/c27-19-10-9-17(14-20(19)28)24-31-21-5-1-2-6-22(21)34(24)23-11-12-29-26(32-23)30-18-4-3-13-33(15-18)25(35)16-7-8-16/h1-2,5-6,9-12,14,16,18H,3-4,7-8,13,15H2,(H,29,30,32)/t18-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.69E+3n/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity to JNK3 (unknown origin) by surface plasmon resonance analysis in presence of ATP


Bioorg Med Chem Lett 23: 1639-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.082
BindingDB Entry DOI: 10.7270/Q2F76DXD
More data for this
Ligand-Target Pair