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BDBM50352601 CHEMBL1822132

SMILES: Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12

InChI Key: InChIKey=OOXCRLOLUWLQCN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50352601   
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 10


(Homo sapiens (Human))
BDBM50352601
PNG
(CHEMBL1822132)
Show SMILES Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12
Show InChI InChI=1S/C17H11BrFN5OS/c18-12-7-26-17(15(12)16-21-8-22-24-16)23-14(25)5-9-1-2-13(19)11-6-20-4-3-10(9)11/h1-4,6-8H,5H2,(H,23,25)(H,21,22,24)
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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK3 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50352601
PNG
(CHEMBL1822132)
Show SMILES Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12
Show InChI InChI=1S/C17H11BrFN5OS/c18-12-7-26-17(15(12)16-21-8-22-24-16)23-14(25)5-9-1-2-13(19)11-6-20-4-3-10(9)11/h1-4,6-8H,5H2,(H,23,25)(H,21,22,24)
PDB
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Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK2 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM50352601
PNG
(CHEMBL1822132)
Show SMILES Fc1ccc(CC(=O)Nc2scc(Br)c2-c2nnc[nH]2)c2ccncc12
Show InChI InChI=1S/C17H11BrFN5OS/c18-12-7-26-17(15(12)16-21-8-22-24-16)23-14(25)5-9-1-2-13(19)11-6-20-4-3-10(9)11/h1-4,6-8H,5H2,(H,23,25)(H,21,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of recombinant JNK1 using ser73 of c-jun as substrate preincubated for 15 mins measured after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 21: 5521-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.100
BindingDB Entry DOI: 10.7270/Q29Z959K
More data for this
Ligand-Target Pair