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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 = 'BDBM50041076'   
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))
BDBM50041076
PNG
(CHEMBL3355419)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@@H](NC2(CCC2)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r|
Show InChI InChI=1S/C27H29Cl2FN4O3/c28-16-5-6-18-20(15-16)32-25(36)27(18)21(17-3-1-4-19(29)22(17)30)23(33-26(27)7-2-8-26)24(35)31-9-10-34-11-13-37-14-12-34/h1,3-6,15,21,23,33H,2,7-14H2,(H,31,35)(H,32,36)/t21-,23+,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50041076
PNG
(CHEMBL3355419)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@@H](NC2(CCC2)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r|
Show InChI InChI=1S/C27H29Cl2FN4O3/c28-16-5-6-18-20(15-16)32-25(36)27(18)21(17-3-1-4-19(29)22(17)30)23(33-26(27)7-2-8-26)24(35)31-9-10-34-11-13-37-14-12-34/h1,3-6,15,21,23,33H,2,7-14H2,(H,31,35)(H,32,36)/t21-,23+,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 9.52E+3n/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair