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BDBM50376125 CHEMBL411083

SMILES: CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O

InChI Key: InChIKey=PRDVIBNMPLEMHA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50376125   
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))
BDBM50376125
PNG
(CHEMBL411083)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O
Show InChI InChI=1S/C25H22ClF2N3O4S/c1-3-20(32)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)30(24)13-17-12-22(36(2,34)35)31(29-17)14-21(27)28/h4-12,21H,3,13-14H2,1-2H3
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human JNK1 by radiometric assay


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Rattus norvegicus)
BDBM50376125
PNG
(CHEMBL411083)
Show SMILES CCC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1Cc1cc(n(CC(F)F)n1)S(C)(=O)=O
Show InChI InChI=1S/C25H22ClF2N3O4S/c1-3-20(32)24-23(15-7-5-4-6-8-15)19-11-16(26)9-10-18(19)25(33)30(24)13-17-12-22(36(2,34)35)31(29-17)14-21(27)28/h4-12,21H,3,13-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of JNK1 in rat H9c2 cells assessed as inhibition of anisomycin-induced cJun phosphorylation after 30 mins


Bioorg Med Chem 16: 4699-714 (2008)


Article DOI: 10.1016/j.bmc.2008.02.028
BindingDB Entry DOI: 10.7270/Q2NP2598
More data for this
Ligand-Target Pair