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BDBM50191779 CHEMBL3966844

SMILES: c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1

InChI Key: InChIKey=KBLDZBNLYGNNJS-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50191779   
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))
BDBM50191779
PNG
(CHEMBL3966844)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1ccncc1
Show InChI InChI=1S/C21H13N7/c1-2-16-18(26-11-25-16)7-14(1)28-12-27-20-10-24-19-9-23-17(8-15(19)21(20)28)13-3-5-22-6-4-13/h1-12H,(H,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 100n/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