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BDBM50392989 CHEMBL2152389

SMILES: COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1

InChI Key: InChIKey=CIOSNPUPZXNFLN-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50392989   
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))
BDBM50392989
PNG
(CHEMBL2152389)
Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C28H25N3O5/c1-36-27(35)23-22(16-18-9-11-19(12-10-18)26(34)30-28(17-32)13-14-28)24(33)21-8-5-15-29-25(21)31(23)20-6-3-2-4-7-20/h2-12,15,32H,13-14,16-17H2,1H3,(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/an/an/a 2.10E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay


ACS Med Chem Lett 3: 764-768 (2012)


Article DOI: 10.1021/ml300175c
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50392989
PNG
(CHEMBL2152389)
Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1
Show InChI InChI=1S/C28H25N3O5/c1-36-27(35)23-22(16-18-9-11-19(12-10-18)26(34)30-28(17-32)13-14-28)24(33)21-8-5-15-29-25(21)31(23)20-6-3-2-4-7-20/h2-12,15,32H,13-14,16-17H2,1H3,(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 45n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1 after 30 mins by TR-FRET assay


ACS Med Chem Lett 3: 764-768 (2012)


Article DOI: 10.1021/ml300175c
More data for this
Ligand-Target Pair