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BDBM245977 US9433622, DMX- 74

SMILES: CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1

InChI Key: InChIKey=LFUDBIVGMVUHOL-GNLPSFAGNA-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 = 245977   
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))
BDBM245977
PNG
(US9433622, DMX- 74)
Show SMILES CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM245977
PNG
(US9433622, DMX- 74)
Show SMILES CN(C(=O)CN1CCOCC1)c1ccc(Nc2nccc(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cn1
Show InChI InChI=1/C26H28FN9O2/c1-34(24(37)17-35-8-10-38-11-9-35)23-3-2-21(15-30-23)32-26-29-6-4-22(33-26)19-12-18(13-28)25(31-14-19)36-7-5-20(27)16-36/h2-4,6,12,14-15,20H,5,7-11,16-17H2,1H3,(H,29,32,33)/t20-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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