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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50515621'   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50515621
PNG
(CHEMBL4453590)
Show SMILES COc1cccc(COc2ccc(CN(C=O)C(C(=O)NC(C)(C)C)c3c([nH]c4cc(Cl)ccc34)C(O)=O)cc2)c1
Show InChI InChI=1S/C31H32ClN3O6/c1-31(2,3)34-29(37)28(26-24-13-10-21(32)15-25(24)33-27(26)30(38)39)35(18-36)16-19-8-11-22(12-9-19)41-17-20-6-5-7-23(14-20)40-4/h5-15,18,28,33H,16-17H2,1-4H3,(H,34,37)(H,38,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Displacement of 5'FAM-LTFEHYWAQLTS from human recombinant N-terminal domain of MDM2 (1 to 118 residues) expressed in Escherichia coli BL21 (DE3) cell...


Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111588
BindingDB Entry DOI: 10.7270/Q25H7KM3
More data for this
Ligand-Target Pair