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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 [17-125]' and Ligand = 'BDBM326332'   
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 [17-125]


(Homo sapiens (Human))
BDBM326332
PNG
(3-{4-(5-chloropyridin-3- yl)-6-[(1R or S)-1-fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(cc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;4.93,-.13,;3.6,-.9,;4.37,1.97,;5.91,1.97,;6.68,3.3,;5.91,4.64,;4.37,4.64,;3.6,3.3,;2.06,3.3,;2.49,-4.46,;3.82,-5.23,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 HDM...


US Patent US9637493 (2017)


BindingDB Entry DOI: 10.7270/Q28917Z1
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 [17-125]


(Homo sapiens (Human))
BDBM326332
PNG
(3-{4-(5-chloropyridin-3- yl)-6-[(1R or S)-1-fluoro...)
Show SMILES C[C@H]1CC[C@H](Cn2c(cc3nc(nc(-c4cncc(Cl)c4)c23)-c2noc(=O)[nH]2)C(C)(F)c2ncccc2F)CC1 |r,wU:4.4,wD:1.0,(6.49,-5.23,;5.16,-4.46,;5.16,-2.92,;3.82,-2.15,;2.49,-2.92,;1.16,-2.15,;1.16,-.61,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;3.6,.64,;4.93,-.13,;3.6,-.9,;4.37,1.97,;5.91,1.97,;6.68,3.3,;5.91,4.64,;4.37,4.64,;3.6,3.3,;2.06,3.3,;2.49,-4.46,;3.82,-5.23,)|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.5n/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 HDM...


US Patent US9637493 (2017)


BindingDB Entry DOI: 10.7270/Q28917Z1
More data for this
Ligand-Target Pair