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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 = 'BDBM50007647'   
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))
BDBM50007647
PNG
(CHEMBL3233128)
Show SMILES CC[C@@H](CS(=O)(=O)CC)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H27Cl2NO6S/c1-3-19(14-34(31,32)4-2)27-22(15-8-10-17(25)11-9-15)23(16-6-5-7-18(26)12-16)33-20(24(27)30)13-21(28)29/h5-12,19-20,22-23H,3-4,13-14H2,1-2H3,(H,28,29)/t19-,20+,22+,23+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007647
PNG
(CHEMBL3233128)
Show SMILES CC[C@@H](CS(=O)(=O)CC)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H27Cl2NO6S/c1-3-19(14-34(31,32)4-2)27-22(15-8-10-17(25)11-9-15)23(16-6-5-7-18(26)12-16)33-20(24(27)30)13-21(28)29/h5-12,19-20,22-23H,3-4,13-14H2,1-2H3,(H,28,29)/t19-,20+,22+,23+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair