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BDBM50430442 CHEMBL2335064

SMILES: C1CNC[C@@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1

InChI Key: InChIKey=QTZBCHXGQNTVCK-OAQYLSRUSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50430442   
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))
BDBM50430442
PNG
(CHEMBL2335064)
Show SMILES C1CNC[C@@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H24N6/c1-2-7-19-16-20(12-11-18(19)6-1)25-30-22-9-3-4-10-23(22)32(25)24-13-15-28-26(31-24)29-21-8-5-14-27-17-21/h1-4,6-7,9-13,15-16,21,27H,5,8,14,17H2,(H,28,29,31)/t21-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.98E+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))
BDBM50430442
PNG
(CHEMBL2335064)
Show SMILES C1CNC[C@@H](C1)Nc1nccc(n1)-n1c(nc2ccccc12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H24N6/c1-2-7-19-16-20(12-11-18(19)6-1)25-30-22-9-3-4-10-23(22)32(25)24-13-15-28-26(31-24)29-21-8-5-14-27-17-21/h1-4,6-7,9-13,15-16,21,27H,5,8,14,17H2,(H,28,29,31)/t21-/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 2.98E+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