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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATPase family AAA domain-containing protein 2' and Ligand = 'BDBM50514873'   
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
ATPase family AAA domain-containing protein 2


(Homo sapiens (Human))
BDBM50514873
PNG
(CHEMBL4436652)
Show SMILES C[C@H]1CCN(C1)S(=O)(=O)c1cc(NC(=O)Cn2c3ccccc3oc2=O)ccc1Br |r|
Show InChI InChI=1S/C20H20BrN3O5S/c1-13-8-9-23(11-13)30(27,28)18-10-14(6-7-15(18)21)22-19(25)12-24-16-4-2-3-5-17(16)29-20(24)26/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,25)/t13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Strathclyde

Curated by ChEMBL


Assay Description
Displacement of Alexa Fluor 488-labeled ligand from FLAG-6His-Tev-fused ATAD2 (981 to 1121 residue) (unknown origin) measured after 30 mins by TR-FRE...


J Med Chem 63: 5212-5241 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00021
BindingDB Entry DOI: 10.7270/Q2RN3C7T
More data for this
Ligand-Target Pair