BindingDB logo
myBDB logout

BDBM246077 US9433622, DMX- 143

SMILES: F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1

InChI Key: InChIKey=OGQHJCCFRJVFIW-KRWDZBQOSA-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 = 246077   
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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM246077
PNG
(US9433622, DMX- 143)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 |r|
Show InChI InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<15n/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
Protein cereblon/Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM246077
PNG
(US9433622, DMX- 143)
Show SMILES F[C@H]1CCN(C1)c1ccc(nc1C#N)-c1ccnc(Nc2ccc(CN3CCOCC3)nc2)n1 |r|
Show InChI InChI=1S/C24H25FN8O/c25-17-6-8-33(15-17)23-4-3-20(30-22(23)13-26)21-5-7-27-24(31-21)29-18-1-2-19(28-14-18)16-32-9-11-34-12-10-32/h1-5,7,14,17H,6,8-12,15-16H2,(H,27,29,31)/t17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<15n/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