BindingDB logo
myBDB logout

BDBM50128331 CHEMBL3629011

SMILES: CC(C)n1nc(Nc2ccc(cn2)C(F)(F)F)cc1C1CCNCC1

InChI Key: InChIKey=LWUXDDYFWFDWIV-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50128331   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50128331
PNG
(CHEMBL3629011)
Show SMILES CC(C)n1nc(Nc2ccc(cn2)C(F)(F)F)cc1C1CCNCC1
Show InChI InChI=1S/C17H22F3N5/c1-11(2)25-14(12-5-7-21-8-6-12)9-16(24-25)23-15-4-3-13(10-22-15)17(18,19)20/h3-4,9-12,21H,5-8H2,1-2H3,(H,22,23,24)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.60E+3n/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)


BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair