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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 = 'BDBM50059192'   
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))
BDBM50059192
PNG
(CHEMBL3393335)
Show SMILES COC1CN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H28N6O2/c1-30-20-12-29(13-20)23-10-18(17-3-6-28(7-4-17)19-14-31-15-19)9-22(27-23)26-21-8-16(11-24)2-5-25-21/h2,5,8-10,17,19-20H,3-4,6-7,12-15H2,1H3,(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059192
PNG
(CHEMBL3393335)
Show SMILES COC1CN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H28N6O2/c1-30-20-12-29(13-20)23-10-18(17-3-6-28(7-4-17)19-14-31-15-19)9-22(27-23)26-21-8-16(11-24)2-5-25-21/h2,5,8-10,17,19-20H,3-4,6-7,12-15H2,1H3,(H,25,26,27)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 233n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-based assay


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair