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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 = 'BDBM50007643'   
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))
BDBM50007643
PNG
(CHEMBL3233124)
Show SMILES CC[C@@H](CN(c1ccc(F)cc1)S(=O)(=O)C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H31Cl2FN2O6S/c1-2-24(18-35(43(40,41)26-14-15-26)25-12-10-23(34)11-13-25)36-29(19-6-8-21(32)9-7-19)30(20-4-3-5-22(33)16-20)42-27(31(36)39)17-28(37)38/h3-13,16,24,26-27,29-30H,2,14-15,17-18H2,1H3,(H,37,38)/t24-,27+,29+,30+/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 0.600n/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))
BDBM50007643
PNG
(CHEMBL3233124)
Show SMILES CC[C@@H](CN(c1ccc(F)cc1)S(=O)(=O)C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H31Cl2FN2O6S/c1-2-24(18-35(43(40,41)26-14-15-26)25-12-10-23(34)11-13-25)36-29(19-6-8-21(32)9-7-19)30(20-4-3-5-22(33)16-20)42-27(31(36)39)17-28(37)38/h3-13,16,24,26-27,29-30H,2,14-15,17-18H2,1H3,(H,37,38)/t24-,27+,29+,30+/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 6n/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