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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 = 'BDBM50287989'   
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))
BDBM50287989
PNG
(CHEMBL4173588)
Show SMILES C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)c1cccc(NC(N)=N)c1)c1ccccc1 |r|
Show InChI InChI=1S/C22H26N6O5/c1-13(14-6-3-2-4-7-14)26-21(33)17(11-19(30)31)28-18(29)12-25-20(32)15-8-5-9-16(10-15)27-22(23)24/h2-10,13,17H,11-12H2,1H3,(H,25,32)(H,26,33)(H,28,29)(H,30,31)(H4,23,24,27)/t13-,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Universit£ degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Displacement of p53 from MDM2 in human U87MG cells incubated for 10 mins by sandwich ELISA method


J Med Chem 61: 4791-4809 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00004
BindingDB Entry DOI: 10.7270/Q22J6FCB
More data for this
Ligand-Target Pair