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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM111517'   
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))
BDBM111517
PNG
(US8618158, NU8360)
Show SMILES OC1CC[C@@H](CC1)OC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r,w:8.8,1.0,wU:4.7,(-4.44,7.19,;-4.04,5.7,;-5.13,4.61,;-4.73,3.12,;-3.25,2.72,;-2.16,3.81,;-2.56,5.3,;-2.85,1.24,;-2.08,-.1,;-1.17,-1.34,;.37,-1.34,;1.46,-2.43,;1.06,-3.92,;2.15,-5.01,;3.63,-4.61,;4.03,-3.12,;2.94,-2.03,;4.72,-5.7,;4.32,-7.19,;6.21,-5.3,;-2.08,-2.59,;-1.31,-3.92,;-3.54,-2.11,;-4.88,-2.88,;-6.21,-2.11,;-6.21,-.57,;-4.88,.2,;-3.54,-.57,;-.99,.99,;.5,.59,;1.59,1.68,;1.19,3.17,;2.28,4.26,;-.3,3.57,;-1.39,2.48,)|
Show InChI InChI=1S/C27H25ClN2O5/c28-20-9-7-19(8-10-20)27(35-23-15-13-22(31)14-16-23)25-4-2-1-3-24(25)26(32)29(27)17-18-5-11-21(12-6-18)30(33)34/h1-12,22-23,31H,13-17H2/t22?,23-,27?
PDB
MMDB

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KEGG

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PC cid
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UniChem

Similars

US Patent
n/an/a 388n/an/an/an/an/a25



Cancer Research Technology Limited

US Patent


Assay Description
Streptavidin-coated 96-well plates are used to immobilise a biotin-tagged IP3 p53-derived peptide (MPRFMDYWEGLN). This is a peptide analogue derived ...


US Patent US8618158 (2013)


BindingDB Entry DOI: 10.7270/Q27D2STZ
More data for this
Ligand-Target Pair