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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 = 'BDBM50339165'   
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))		BDBM50339165
PNG
((2S,5S,8S,11S,14S,17S,20S,23S,26S)-17-((1H-indol-3...)
Show SMILES COc1ccc(cc1)-n1nnc(n1)C(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(=O)C(C)=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C87H120N20O22/c1-46(2)39-64(93-52(10)111)83(124)102-71(50(8)109)85(126)100-67(41-53-21-13-12-14-22-53)81(122)96-63(35-36-70(113)114)79(120)95-62(26-17-19-37-89-75(116)48(5)6)78(119)98-66(42-54-27-31-57(112)32-28-54)82(123)99-68(43-55-44-91-60-24-16-15-23-59(55)60)80(121)92-49(7)76(117)94-61(25-18-20-38-90-87(128)74-104-106-107(105-74)56-29-33-58(129-11)34-30-56)77(118)97-65(40-47(3)4)84(125)103-72(51(9)110)86(127)101-69(45-108)73(88)115/h12-16,21-24,27-34,44,46-47,49-51,61-69,71-72,91,108-110,112H,5,17-20,25-26,35-43,45H2,1-4,6-11H3,(H2,88,115)(H,89,116)(H,90,128)(H,92,121)(H,93,111)(H,94,117)(H,95,120)(H,96,122)(H,97,118)(H,98,119)(H,99,123)(H,100,126)(H,101,127)(H,102,124)(H,103,125)(H,113,114)/t49-,50+,51+,61-,62-,63-,64-,65-,66-,67-,68-,69-,71-,72-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio...

Bioorg Med Chem Lett 21: 1472-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.004
BindingDB Entry DOI: 10.7270/Q2M32W33
More data for this
Ligand-Target Pair