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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 = 'BDBM50506493'   
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))		BDBM50506493
PNG
(CHEMBL4453337)
Show SMILES CC(C)C[C@@H](CN(CC(=O)N[C@H](CN(CC(=O)N[C@@H](CCC(O)=O)CN(CC(=O)N[C@@H](C)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](C)CN(CC(N)=O)S(C)(=O)=O)S(=O)(=O)CC(C)C)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O)Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NC(C)=O |r|
Show InChI InChI=1S/C69H121ClN16O24S7/c1-48(2)30-58(75-53(9)87)39-86(117(109,110)61-26-23-55(70)24-27-61)46-68(94)79-60(32-54-20-16-15-17-21-54)37-84(115(14,105)106)43-66(92)77-57(25-28-69(95)96)36-83(114(13,103)104)41-63(89)73-52(8)34-81(112(11,99)100)42-65(91)76-56(22-18-19-29-71)35-82(113(12,101)102)44-67(93)78-59(31-49(3)4)38-85(116(107,108)47-50(5)6)45-64(90)74-51(7)33-80(40-62(72)88)111(10,97)98/h15-17,20-21,23-24,26-27,48-52,56-60H,18-19,22,25,28-47,71H2,1-14H3,(H2,72,88)(H,73,89)(H,74,90)(H,75,87)(H,76,91)(H,77,92)(H,78,93)(H,79,94)(H,95,96)/t51-,52-,56-,57-,58-,59-,60-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a>5.00E+3n/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 expressed in Escherichia coli expression system by using (FITC)-labeled p53 peptide based fluorescence polarization co...

J Med Chem 63: 975-986 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00993
BindingDB Entry DOI: 10.7270/Q2D79FPH
More data for this
Ligand-Target Pair