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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 = 'BDBM50514855'   
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))
BDBM50514855
PNG
(CHEMBL4445372)
Show SMILES CN(C)CC1CCN(C1)S(=O)(=O)c1cc(NC(=O)CN2C(=O)CNC2=O)ccc1Cl
Show InChI InChI=1S/C18H24ClN5O5S/c1-22(2)9-12-5-6-23(10-12)30(28,29)15-7-13(3-4-14(15)19)21-16(25)11-24-17(26)8-20-18(24)27/h3-4,7,12H,5-6,8-11H2,1-2H3,(H,20,27)(H,21,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+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