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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 = 'BDBM50053229'   
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))
BDBM50053229
PNG
(CHEMBL3318787)
Show SMILES CC(C)(C)[C@@H](CS(=O)(=O)N1CCc2cc(F)ccc12)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C34H37Cl2FN2O5S/c1-33(2,3)29(20-45(43,44)38-15-14-23-17-26(37)12-13-28(23)38)39-31(21-8-10-24(35)11-9-21)27(22-6-5-7-25(36)16-22)18-34(4,32(39)42)19-30(40)41/h5-13,16-17,27,29,31H,14-15,18-20H2,1-4H3,(H,40,41)/t27-,29-,31-,34-/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 0.220n/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