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BDBM50191783 CHEMBL3955726

SMILES: c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cnsc1

InChI Key: InChIKey=ATRPKCGPUYVUPB-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 = 50191783   
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))
BDBM50191783
PNG
(CHEMBL3955726)
Show SMILES c1nc2ccc(cc2[nH]1)-n1cnc2cnc3cnc(cc3c12)-c1cnsc1
Show InChI InChI=1S/C19H11N7S/c1-2-14-16(23-9-22-14)3-12(1)26-10-24-18-7-21-17-6-20-15(4-13(17)19(18)26)11-5-25-27-8-11/h1-10H,(H,22,23)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/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