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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 = 'BDBM50008758'   
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))
BDBM50008758
PNG
(CHEMBL3236362)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(2,3)4)32-26(19-10-12-21(30)13-11-19)25(20-8-7-9-22(31)14-20)16-29(5,27(32)35)15-24(34)17-33/h7-14,23,25-26,33H,6,15-18H2,1-5H3/t23-,25+,26+,29-/m0/s1
PDB
MMDB

NCI pathway
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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: 2963-88 (2014)


Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50008758
PNG
(CHEMBL3236362)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(=O)CO)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H37Cl2NO5S/c1-6-23(18-38(36,37)28(2,3)4)32-26(19-10-12-21(30)13-11-19)25(20-8-7-9-22(31)14-20)16-29(5,27(32)35)15-24(34)17-33/h7-14,23,25-26,33H,6,15-18H2,1-5H3/t23-,25+,26+,29-/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 3.70n/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: 2963-88 (2014)


Article DOI: 10.1021/jm401911v
BindingDB Entry DOI: 10.7270/Q2862J0J
More data for this
Ligand-Target Pair