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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 = 'BDBM50053053'   
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))
BDBM50053053
PNG
(CHEMBL3318768)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)Nc2ccccc2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1/C31H32Cl2N2O5S/c1-31(18-28(36)37)17-26(22-6-5-7-24(33)16-22)29(21-12-14-23(32)15-13-21)35(30(31)38)27(20-10-11-20)19-41(39,40)34-25-8-3-2-4-9-25/h2-9,12-16,20,26-27,29,34H,10-11,17-19H2,1H3,(H,36,37)/t26-,27-,29-,31-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0710n/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