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BDBM246053 US9433622, DMX- 129

SMILES: Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1

InChI Key: InChIKey=YDMKWHGXAARJJK-AWEZNQCLSA-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 = 246053   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM246053
PNG
(US9433622, DMX- 129)
Show SMILES Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1S/C19H17FN8/c20-14-4-6-28(11-14)18-12(8-21)7-13(9-25-18)16-3-5-23-19(27-16)26-15-1-2-17(22)24-10-15/h1-3,5,7,9-10,14H,4,6,11H2,(H2,22,24)(H,23,26,27)/t14-/m0/s1
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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/a7.5n/a



Case Western Reserve University

US Patent


Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


US Patent US9433622 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57R4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM246053
PNG
(US9433622, DMX- 129)
Show SMILES Nc1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1S/C19H17FN8/c20-14-4-6-28(11-14)18-12(8-21)7-13(9-25-18)16-3-5-23-19(27-16)26-15-1-2-17(22)24-10-15/h1-3,5,7,9-10,14H,4,6,11H2,(H2,22,24)(H,23,26,27)/t14-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<30n/an/an/an/a7.5n/a



Case Western Reserve University

US Patent


Assay Description
Kinase inhibition assays (10 μL) were performed at 20 C. in 384-well plate format. Compound IC50 values were determined at the apparent Km for ...


US Patent US9433622 (2016)


BindingDB Entry DOI: 10.7270/Q2PZ57R4
More data for this
Ligand-Target Pair