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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 = 'BDBM50059253'   
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))
BDBM50059253
PNG
(CHEMBL3393311 | US9868720, No. 3)
Show SMILES Cc1nc(Nc2ccc(cn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22F3N5O/c1-15-28-19(12-21(29-15)30-20-10-9-18(13-27-20)23(24,25)26)17-8-5-11-31(14-17)22(32)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
691n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059253
PNG
(CHEMBL3393311 | US9868720, No. 3)
Show SMILES Cc1nc(Nc2ccc(cn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22F3N5O/c1-15-28-19(12-21(29-15)30-20-10-9-18(13-27-20)23(24,25)26)17-8-5-11-31(14-17)22(32)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,27,28,29,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
691n/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