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BDBM50402829 CHEMBL2204101

SMILES: COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F

InChI Key: InChIKey=XPGNOOQOOVLBMJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50402829   
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 9


(Homo sapiens (Human))
BDBM50402829
PNG
(CHEMBL2204101)
Show SMILES COC(=O)c1c(CN2CCC(CC2)S(C)(=O)=O)c(=O)c2ccc(nc2n1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N3O5S/c1-35-23(32)20-18(14-29-12-10-16(11-13-29)36(2,33)34)21(31)17-8-9-19(24(25,26)27)28-22(17)30(20)15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3
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 290n/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