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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 = 'BDBM50053041'   
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))
BDBM50053041
PNG
(CHEMBL3318759)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)NCC2CCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C30H36Cl2N2O5S/c1-30(16-27(35)36)15-25(22-6-3-7-24(32)14-22)28(21-10-12-23(31)13-11-21)34(29(30)37)26(20-8-9-20)18-40(38,39)33-17-19-4-2-5-19/h3,6-7,10-14,19-20,25-26,28,33H,2,4-5,8-9,15-18H2,1H3,(H,35,36)/t25-,26-,28-,30-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay in presence of 15% h...


Bioorg Med Chem Lett 24: 3782-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.073
BindingDB Entry DOI: 10.7270/Q2ZC84HH
More data for this
Ligand-Target Pair