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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 12' and Ligand = 'BDBM50128339'   
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 kinase kinase 12


(Homo sapiens (Human))
BDBM50128339
PNG
(CHEMBL3629172)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCOC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C18H21N5O/c19-11-13-5-7-20-17(9-13)21-18-10-16(14-6-8-24-12-14)23(22-18)15-3-1-2-4-15/h5,7,9-10,14-15H,1-4,6,8,12H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba...


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50128339
PNG
(CHEMBL3629172)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCOC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C18H21N5O/c19-11-13-5-7-20-17(9-13)21-18-10-16(14-6-8-24-12-14)23(22-18)15-3-1-2-4-15/h5,7,9-10,14-15H,1-4,6,8,12H2,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 698n/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Dox inducible human DLK transfected in HEK293 cells assessed as reduction in JNK phosphorylation incubated for 5.5 hrs measured by Hoec...


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair