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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 = 'BDBM162166'   
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))
BDBM162166
PNG
(US9051279, 149)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1cnc(cn1)N(C)C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)C1 |r,wU:36.43,wD:9.9,33.36,(11.96,4.75,;10.62,5.52,;9.29,4.75,;7.96,5.52,;6.62,4.75,;5.29,5.52,;3.96,4.75,;2.62,5.52,;3.96,3.21,;5.29,2.44,;5.29,.9,;3.96,.13,;3.96,-1.41,;5.29,-2.18,;5.29,-3.72,;6.62,-1.41,;6.62,.13,;6.62,3.21,;7.96,2.44,;9.29,3.21,;10.62,2.44,;10.62,.9,;11.96,.13,;9.29,.13,;2.62,2.44,;2.62,.9,;1.29,.13,;-.05,.9,;-.05,2.44,;1.29,3.21,;-1.38,.13,;-1.38,-1.41,;-2.71,.9,;-4.05,.13,;-5.38,.9,;-6.71,.13,;-6.71,-1.41,;-5.38,-2.18,;-4.05,-1.41,;-8.05,-2.18,;-8.05,-3.72,;-9.51,-4.19,;-10.28,-5.52,;-10.42,-2.95,;-11.96,-2.95,;-9.51,-1.7,)|
Show InChI InChI=1/C35H43ClN6O4/c1-22(2)46-30-16-28-25(14-29(30)45-5)15-33(43)42(35(28)24-8-10-26(36)11-9-24)32-18-37-31(17-38-32)39(3)19-23-6-12-27(13-7-23)41-20-34(44)40(4)21-41/h8-11,14,16-18,22-23,27,35H,6-7,12-13,15,19-21H2,1-5H3/t23-,27-,35-/s2
PDB
MMDB

NCI pathway
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KEGG

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair