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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 = 'BDBM50300115'   
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))
BDBM50300115
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C28H34Cl2FN3O4/c1-27(2,3)15-21-28(18-9-8-16(29)14-20(18)33-26(28)36)22(17-6-5-7-19(30)23(17)31)24(34-21)25(35)32-10-11-38-13-12-37-4/h5-9,14,21-22,24,34H,10-13,15H2,1-4H3,(H,32,35)(H,33,36)/t21-,22+,24-,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50300115
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C28H34Cl2FN3O4/c1-27(2,3)15-21-28(18-9-8-16(29)14-20(18)33-26(28)36)22(17-6-5-7-19(30)23(17)31)24(34-21)25(35)32-10-11-38-13-12-37-4/h5-9,14,21-22,24,34H,10-13,15H2,1-4H3,(H,32,35)(H,33,36)/t21-,22+,24-,28+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 32.4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair