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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50420268'   
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))
BDBM50420268
PNG
(CHEMBL2089203)
Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(ccc2C1=O)C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H17Cl2F3N2O3S/c1-35-24(34)21(14-4-9-17(27)10-5-14)32-20(13-2-7-16(26)8-3-13)22(36)31-19-12-15(25(28,29)30)6-11-18(19)23(32)33/h2-12,20-21H,1H3,(H,31,36)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of p53 protein binding to MDM2 (unknown origin)


Eur J Med Chem 176: 92-104 (2019)


Article DOI: 10.1016/j.ejmech.2019.05.018
BindingDB Entry DOI: 10.7270/Q2V12851
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50420268
PNG
(CHEMBL2089203)
Show SMILES COC(=O)C(N1C(c2ccc(Cl)cc2)C(=S)Nc2cc(ccc2C1=O)C(F)(F)F)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H17Cl2F3N2O3S/c1-35-24(34)21(14-4-9-17(27)10-5-14)32-20(13-2-7-16(26)8-3-13)22(36)31-19-12-15(25(28,29)30)6-11-18(19)23(32)33/h2-12,20-21H,1H3,(H,31,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 56: 10-16 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.003
BindingDB Entry DOI: 10.7270/Q2K938SR
More data for this
Ligand-Target Pair