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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 = 'BDBM50514870'   
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))
BDBM50514870
PNG
(CHEMBL4565203)
Show SMILES C[C@]1(NC(=O)N(CC(=O)Nc2ccc(Br)c(c2)S(=O)(=O)N2CCCC2)C1=O)C1CC1 |r|
Show InChI InChI=1S/C19H23BrN4O5S/c1-19(12-4-5-12)17(26)24(18(27)22-19)11-16(25)21-13-6-7-14(20)15(10-13)30(28,29)23-8-2-3-9-23/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,21,25)(H,22,27)/t19-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/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