BindingDB logo
myBDB logout

BDBM50042936 CHEMBL3355000

SMILES: COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCc1ccccc1

InChI Key: InChIKey=ZVTOPUTUABIMNX-UHFFFAOYSA-N

Data: 1 IC50

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 = 50042936   
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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (human))
BDBM50042936
PNG
(CHEMBL3355000)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]c3CCC(Cc3c12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H25N7O2/c1-35-22-11-20-17(13-30-33-20)10-21(22)32-25-23-18-9-16(7-8-19(18)31-24(23)28-14-29-25)26(34)27-12-15-5-3-2-4-6-15/h2-6,10-11,13-14,16H,7-9,12H2,1H3,(H,27,34)(H,30,33)(H2,28,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full-length MKNK1 using biotin-Ahx-IKKRKLTRRKSLKG substrate by TR-FRET-based high ATP assay


ACS Med Chem Lett 6: 9-10 (2015)


Article DOI: 10.1021/ml5003025
BindingDB Entry DOI: 10.7270/Q2BP04DN
More data for this
Ligand-Target Pair