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BDBM50430450 CHEMBL2334716

SMILES: Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1

InChI Key: InChIKey=CQERWDWSCNZVRB-GNLPSFAGNA-N

Data: 2 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50430450   
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
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50430450
PNG
(CHEMBL2334716)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1
Show InChI InChI=1/C27H27N5O2/c33-22-7-3-5-19(15-22)26-30-23-8-1-2-9-24(23)32(26)21-12-13-28-25(16-21)29-20-6-4-14-31(17-20)27(34)18-10-11-18/h1-3,5,7-9,12-13,15-16,18,20,33H,4,6,10-11,14,17H2,(H,28,29)/t20-/s2
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MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.64E+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))
BDBM50430450
PNG
(CHEMBL2334716)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2n1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)C2CC2)c1
Show InChI InChI=1/C27H27N5O2/c33-22-7-3-5-19(15-22)26-30-23-8-1-2-9-24(23)32(26)21-12-13-28-25(16-21)29-20-6-4-14-31(17-20)27(34)18-10-11-18/h1-3,5,7-9,12-13,15-16,18,20,33H,4,6,10-11,14,17H2,(H,28,29)/t20-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.64E+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