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BDBM246032 US9433622, DMX- 37

SMILES: NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1

InChI Key: InChIKey=BNIHBJJXGBMYHX-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 = 246032   
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))
BDBM246032
PNG
(US9433622, DMX- 37)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1
Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)
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))
BDBM246032
PNG
(US9433622, DMX- 37)
Show SMILES NC(=O)c1ccc(Nc2nccc(n2)-c2cnc(N3CCCC3)c(c2)C#N)cc1
Show InChI InChI=1S/C21H19N7O/c22-12-15-11-16(13-25-20(15)28-9-1-2-10-28)18-7-8-24-21(27-18)26-17-5-3-14(4-6-17)19(23)29/h3-8,11,13H,1-2,9-10H2,(H2,23,29)(H,24,26,27)
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