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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 = 'BDBM50059190'   
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))
BDBM50059190
PNG
(CHEMBL3393333)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
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PC cid
PC sid
PDB
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PDB
Article
PubMed
<0.5n/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
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059190
PNG
(CHEMBL3393333)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 30n/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
3D
3D Structure (crystal)