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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 = 'BDBM135319'   
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))
BDBM135319
PNG
(US8846657, 5.22)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2[C@H](C)CN(C[C@H]2C)C(=O)N(C)C)CC1 |r,wU:4.4,29.33,wD:1.0,34.39,(5.58,-4.38,;4.09,-3.98,;3.69,-2.49,;2.21,-2.09,;1.12,-3.18,;-.37,-2.78,;-.77,-.61,;.14,.64,;-.77,1.88,;-2.23,1.41,;-3.57,2.18,;-4.9,1.41,;-4.9,-.13,;-3.57,-.9,;-3.57,-2.44,;-2.23,-3.21,;-2.23,-4.75,;-3.57,-5.52,;-4.9,-4.75,;-6.24,-5.52,;-4.9,-3.21,;-2.23,-.13,;-6.24,2.18,;-7.7,1.7,;-8.61,2.95,;-7.7,4.19,;-8.47,5.52,;-6.24,3.72,;1.68,.64,;2.45,-.7,;1.68,-2.03,;3.99,-.7,;4.76,.64,;3.99,1.97,;2.45,1.97,;1.68,3.3,;6.3,.64,;7.07,1.97,;7.07,-.7,;8.61,-.7,;7.07,-2.24,;1.51,-4.67,;3,-5.07,)|
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 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...


US Patent US8962611 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JDZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM135319
PNG
(US8846657, 5.22)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)N2[C@H](C)CN(C[C@H]2C)C(=O)N(C)C)CC1 |r,wU:4.4,29.33,wD:1.0,34.39,(5.58,-4.38,;4.09,-3.98,;3.69,-2.49,;2.21,-2.09,;1.12,-3.18,;-.37,-2.78,;-.77,-.61,;.14,.64,;-.77,1.88,;-2.23,1.41,;-3.57,2.18,;-4.9,1.41,;-4.9,-.13,;-3.57,-.9,;-3.57,-2.44,;-2.23,-3.21,;-2.23,-4.75,;-3.57,-5.52,;-4.9,-4.75,;-6.24,-5.52,;-4.9,-3.21,;-2.23,-.13,;-6.24,2.18,;-7.7,1.7,;-8.61,2.95,;-7.7,4.19,;-8.47,5.52,;-6.24,3.72,;1.68,.64,;2.45,-.7,;1.68,-2.03,;3.99,-.7,;4.76,.64,;3.99,1.97,;2.45,1.97,;1.68,3.3,;6.3,.64,;7.07,1.97,;7.07,-.7,;8.61,-.7,;7.07,-2.24,;1.51,-4.67,;3,-5.07,)|
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 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...


US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair