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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 7' and Ligand = 'BDBM50434069'   
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 7


(Homo sapiens (Human))
BDBM50434069
PNG
(CHEMBL2381339 | US9676792, Compound 24)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38N8O3/c1-36-15-17-38(18-16-36)23-10-12-39(13-11-23)30(41)22-7-8-25(27(19-22)43-3)34-32-33-20-26-29(35-32)40-14-9-21-5-4-6-24(28(21)40)31(42)37(26)2/h4-8,19-20,23H,9-18H2,1-3H3,(H,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 199n/a 260n/an/a7.5n/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase activity was determined in an assay volume of 40 μl in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) contai...


US Patent US9676792 (2017)


BindingDB Entry DOI: 10.7270/Q2Z31WT7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))
BDBM50434069
PNG
(CHEMBL2381339 | US9676792, Compound 24)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38N8O3/c1-36-15-17-38(18-16-36)23-10-12-39(13-11-23)30(41)22-7-8-25(27(19-22)43-3)34-32-33-20-26-29(35-32)40-14-9-21-5-4-6-24(28(21)40)31(42)37(26)2/h4-8,19-20,23H,9-18H2,1-3H3,(H,33,34,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged full length human ERK5 transfected in HEK293 cells assessed as inhibition of AP1 transcriptional activity after 24 hrs by du...


J Med Chem 56: 4413-21 (2013)


Article DOI: 10.1021/jm4000837
BindingDB Entry DOI: 10.7270/Q2RF5WDZ
More data for this
Ligand-Target Pair