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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.6
BDBM32466
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM32466
PNG
(piperazine amide, 4m)
Show SMILES CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C17H17BrClN3O3/c1-11(23)21-7-9-22(10-8-21)16-12(19)3-2-4-13(16)20-17(24)14-5-6-15(18)25-14/h2-6H,7-10H2,1H3,(H,20,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]


(Homo sapiens (Human))
BDBM32466
PNG
(piperazine amide, 4m)
Show SMILES CC(=O)N1CCN(CC1)c1c(Cl)cccc1NC(=O)c1ccc(Br)o1
Show InChI InChI=1S/C17H17BrClN3O3/c1-11(23)21-7-9-22(10-8-21)16-12(19)3-2-4-13(16)20-17(24)14-5-6-15(18)25-14/h2-6H,7-10H2,1H3,(H,20,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 810n/an/an/an/a7.022



The Scripps Research Institute



Assay Description
Biochemical IC50s for JNK were determined using HTRF. In each assay the phosphor-Thr71-ATF-2 product was detected using a Europium-cryptate labeled a...


Bioorg Med Chem Lett 19: 3344-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.086
BindingDB Entry DOI: 10.7270/Q2ST7N67
More data for this
Ligand-Target Pair