new BindingDB logo
myBDB logout

BDBM50402842 CHEMBL2208438

SMILES: COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1

InChI Key: InChIKey=TVVAITVLFFSACG-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 = 50402842   
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))
BDBM50402842
PNG
(CHEMBL2208438)
Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1
Show InChI InChI=1S/C25H23N3O5S/c1-15-7-12-20-23(29)21(13-16-8-10-19(11-9-16)34(3,31)32)22(25(30)33-2)28(24(20)27-15)18-6-4-5-17(26)14-18/h4-12,14H,13,26H2,1-3H3
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 14n/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))
BDBM50402842
PNG
(CHEMBL2208438)
Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2ccc(C)nc2n1-c1cccc(N)c1
Show InChI InChI=1S/C25H23N3O5S/c1-15-7-12-20-23(29)21(13-16-8-10-19(11-9-16)34(3,31)32)22(25(30)33-2)28(24(20)27-15)18-6-4-5-17(26)14-18/h4-12,14H,13,26H2,1-3H3
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 32n/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