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BDBM50402845 CHEMBL2204104

SMILES: Clc1ccc2c(c1)n(-c1ccccc1)c(=O)n(Cc1ccccc1)c2=O

InChI Key: InChIKey=CCFFGSPBTHQDMH-UHFFFAOYSA-N

Data: 2 IC50

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 = 50402845   
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))
BDBM50402845
PNG
(CHEMBL2204104)
Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(=O)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C21H15ClN2O2/c22-16-11-12-18-19(13-16)24(17-9-5-2-6-10-17)21(26)23(20(18)25)14-15-7-3-1-4-8-15/h1-13H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 alpha1 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 22: 7381-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50402845
PNG
(CHEMBL2204104)
Show SMILES Clc1ccc2c(c1)n(-c1ccccc1)c(=O)n(Cc1ccccc1)c2=O
Show InChI InChI=1S/C21H15ClN2O2/c22-16-11-12-18-19(13-16)24(17-9-5-2-6-10-17)21(26)23(20(18)25)14-15-7-3-1-4-8-15/h1-13H,14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
Inhibition of human JNK2 alpha2 using GST-tagged ATF2 as substrate and [gamma33P]ATP incubated for 10 mins prior to substrate addition measured after...


Bioorg Med Chem Lett 22: 7381-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.066
BindingDB Entry DOI: 10.7270/Q27S7PZ6
More data for this
Ligand-Target Pair