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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 = 'BDBM50126115'   
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))
BDBM50126115
PNG
(CHEMBL3627744)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
6.96E+3n/an/an/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50126115
PNG
(CHEMBL3627744)
Show SMILES OC(=O)[C@H](CCCn1cc(nn1)-c1ccc(cc1)C(F)(F)F)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Show InChI InChI=1S/C29H25F3N4O4/c30-29(31,32)19-13-11-18(12-14-19)26-16-36(35-34-26)15-5-10-25(27(37)38)33-28(39)40-17-24-22-8-3-1-6-20(22)21-7-2-4-9-23(21)24/h1-4,6-9,11-14,16,24-25H,5,10,15,17H2,(H,33,39)(H,37,38)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 4.98E+4n/an/an/an/an/an/a



University of East Anglia

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...


Bioorg Med Chem Lett 25: 4878-80 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.014
BindingDB Entry DOI: 10.7270/Q2MS3VK7
More data for this
Ligand-Target Pair