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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.5
BDBM367491

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitotic checkpoint serine/threonine-protein kinase BUB1


(Homo sapiens (Human))
BDBM367491
PNG
(N-4-[(6RS)-6-Methyl-6-(2-oxa-6-azaspiro[3.3]hept-6...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1[nH]c2CC(C)(CC(=O)c2c1Nc1ccccc1)C(=O)N1CC2(COC2)C1 |w:14.31,14.15|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 932n/an/an/an/an/an/a



Pfizer



Assay Description
Bub1-inhibitory activities of compounds described in the present invention were quantified using a time-resolved fluorescence energy transfer (TR-FRE...


J Med Chem 51: 1377-84 (2008)


BindingDB Entry DOI: 10.7270/Q2QN6931
More data for this
Ligand-Target Pair