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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.4
BDBM32493

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
Isoform Alpha-1 of Mitogen-activated protein kinase 10 (Alpha-1) 9-402]


(Homo sapiens (Human))
BDBM32493
PNG
(aryl piperidine, 9i)
Show SMILES CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C21H26N2O4/c1-3-16-7-8-18(27-16)20(24)22-17-6-4-5-15(2)19(17)23-11-9-21(10-12-23)25-13-14-26-21/h4-8H,3,9-14H2,1-2H3,(H,22,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/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
Mitogen-activated protein kinase 8


(Homo sapiens (Human))
BDBM32493
PNG
(aryl piperidine, 9i)
Show SMILES CCc1ccc(o1)C(=O)Nc1cccc(C)c1N1CCC2(CC1)OCCO2
Show InChI InChI=1S/C21H26N2O4/c1-3-16-7-8-18(27-16)20(24)22-17-6-4-5-15(2)19(17)23-11-9-21(10-12-23)25-13-14-26-21/h4-8H,3,9-14H2,1-2H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.40E+3n/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