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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 = 'BDBM143669'   
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))
BDBM143669
PNG
(US8969341, 176)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H24Cl2N6O4/c1-13(2)21-19-20(31-34(21)18-11-29-26(38-5)30-23(18)37-4)25(36)33(16-10-17(28)24(35)32(3)12-16)22(19)14-6-8-15(27)9-7-14/h6-13,22H,1-5H3/t22-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.157n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM143669
PNG
(US8969341, 176)
Show SMILES COc1ncc(c(OC)n1)-n1nc2C(=O)N([C@H](c2c1C(C)C)c1ccc(Cl)cc1)c1cc(Cl)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C26H24Cl2N6O4/c1-13(2)21-19-20(31-34(21)18-11-29-26(38-5)30-23(18)37-4)25(36)33(16-10-17(28)24(35)32(3)12-16)22(19)14-6-8-15(27)9-7-14/h6-13,22H,1-5H3/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 0.700n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-MDM2 and p53-MDM4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US8969341 (2015)


BindingDB Entry DOI: 10.7270/Q2K35SC8
More data for this
Ligand-Target Pair