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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 = 'BDBM50053222'   
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))		BDBM50053222
PNG
(CHEMBL3318780)
Show SMILES C[C@H]1CCCN1S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C31H40Cl2N2O5S/c1-20-8-7-15-34(20)41(39,40)19-26(30(2,3)4)35-28(21-11-13-23(32)14-12-21)25(22-9-6-10-24(33)16-22)17-31(5,29(35)38)18-27(36)37/h6,9-14,16,20,25-26,28H,7-8,15,17-19H2,1-5H3,(H,36,37)/t20-,25+,26+,28+,31+/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.10n/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