BindingDB logo
myBDB logout

null

SMILES: CC(C)(O)C#Cc1cc2c(cn(CCCO)c2cn1)-c1cn[nH]c1

InChI Key: InChIKey=YWJCLUZKBVWXDD-UHFFFAOYSA-N

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 1 hit for monomerid = 396914   
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 alpha


(Homo sapiens (Human))		BDBM396914
PNG
(US9981963, Compound 5)
Show SMILES CC(C)(O)C#Cc1cc2c(cn(CCCO)c2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,24)5-4-14-8-15-16(13-9-20-21-10-13)12-22(6-3-7-23)17(15)11-19-14/h8-12,23-24H,3,6-7H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



Friedrich Alexander University Erlangen



Assay Description
Assay buffer was 50 mM Tris pH 7.5 containing 1 mM EGTA (ethylene glycol tetraacetic acid), 1 mM DTT (dithiothreitol), 0.1 mM Na3VO4, 5 mM MgCl2, 0.0...

J Med Chem 52: 3474-83 (2009)


BindingDB Entry DOI: 10.7270/Q2PR7ZB4
More data for this
Ligand-Target Pair