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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 = 'BDBM50069780'   
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))		BDBM50069780
PNG
(CHEMBL3407573)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N[C@H]2C[C@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r,wU:13.41,16.18,8.8,wD:14.33,22.22,24.27,(.26,-6,;1.33,-5.39,;1.32,-6.62,;2.39,-6.01,;1.33,-3.85,;1.33,-2.62,;.26,-3.23,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.39,-.13,;-1.3,-2.29,;-2.59,-3.13,;-3.69,-2.56,;-2.52,-4.66,;-3.81,-5.5,;-5.27,-5.14,;-5.6,-6.65,;-4.09,-6.98,;-6.89,-7.48,;-6.83,-8.71,;-7.98,-6.91,;,-1.54,;,-2.77,;,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;1.34,5.39,;2.41,6,;1.33,3.85,;2.67,1.54,;2.67,3.08,;4.01,3.85,;5.34,3.08,;6.41,3.69,;5.34,1.54,;4,.77,)|
Show InChI InChI=1S/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)19-28(20-8-9-20)38-30(21-10-12-24(35)13-11-21)27(22-6-5-7-25(36)14-22)17-34(4,32(38)42)18-29(39)37-26-15-23(16-26)31(40)41/h5-7,10-14,20,23,26-28,30H,8-9,15-19H2,1-4H3,(H,37,39)(H,40,41)/t23-,26+,27-,28-,30-,34-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 0.830n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...

J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair