BDBM50271249 CHEMBL3719126

SMILES CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3CCN(CC3)C4COC4

InChI Key InChIKey=TWYUPZIQFNEHLH-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50271249   

TargetMitogen-activated protein kinase kinase kinase 12(Human)
Wuxi Apptec

Curated by ChEMBL

LigandBDBM50271249(CHEMBL3719126)Copy SMILESCopy InChI

Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/23/2020
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetMitogen-activated protein kinase kinase kinase 12(Human)
Wuxi Apptec

Curated by ChEMBL

LigandBDBM50271249(CHEMBL3719126)Copy SMILESCopy InChI

Affinity DataKi:  154nMAssay Description:Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/23/2020
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL