new BindingDB logo
myBDB logout

BDBM50191784 CHEMBL3919207

SMILES: c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1

InChI Key: InChIKey=KLCTWPGEFCWMHD-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 = 50191784   
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 8


(Homo sapiens (Human))
BDBM50191784
PNG
(CHEMBL3919207)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccccc1
Show InChI InChI=1S/C22H14N6/c1-2-4-14(5-3-1)18-9-16-20(10-23-18)24-11-21-22(16)28(13-27-21)15-6-7-17-19(8-15)26-12-25-17/h1-13H,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human COT (66 to 395 residues) expressed in Sf21 cells using 5-Fluo-Ahx-AGAGSGQLIDSNleANSFVGTR-NH2 as substrate after 60 mins by calipe...


J Med Chem 59: 7544-60 (2016)


BindingDB Entry DOI: 10.7270/Q29P33MR
More data for this
Ligand-Target Pair