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BDBM50448990 CHEMBL3125737

SMILES: CNc1c(cnc2nc([nH]c12)-c1ccc(OC)cc1)-c1ccc(s1)C(O)=O

InChI Key: InChIKey=AQZDJGNYTIPSIH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50448990   
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
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM50448990
PNG
(CHEMBL3125737)
Show SMILES CNc1c(cnc2nc([nH]c12)-c1ccc(OC)cc1)-c1ccc(s1)C(O)=O
Show InChI InChI=1S/C19H16N4O3S/c1-20-15-12(13-7-8-14(27-13)19(24)25)9-21-18-16(15)22-17(23-18)10-3-5-11(26-2)6-4-10/h3-9H,1-2H3,(H,24,25)(H2,20,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 1138-43 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.123
BindingDB Entry DOI: 10.7270/Q20V8F87
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM50448990
PNG
(CHEMBL3125737)
Show SMILES CNc1c(cnc2nc([nH]c12)-c1ccc(OC)cc1)-c1ccc(s1)C(O)=O
Show InChI InChI=1S/C19H16N4O3S/c1-20-15-12(13-7-8-14(27-13)19(24)25)9-21-18-16(15)22-17(23-18)10-3-5-11(26-2)6-4-10/h3-9H,1-2H3,(H,24,25)(H2,20,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IKK-epsilon (unknown origin) using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay


Bioorg Med Chem Lett 24: 1138-43 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.123
BindingDB Entry DOI: 10.7270/Q20V8F87
More data for this
Ligand-Target Pair