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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 = 'BDBM50339370'   
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))
BDBM50339370
PNG
((+/-)-trans-3-(4-Chlorophenyl)-3-(4-hydroxycyclohe...)
Show SMILES O[C@H]1CC[C@@H](CC1)OC1(N(Cc2ccc(cc2)[N+]([O-])=O)C(=O)c2ccccc12)c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(-9.71,-36.66,;-8.4,-37.46,;-8.44,-39,;-7.12,-39.8,;-5.79,-39.06,;-5.74,-37.53,;-7.05,-36.73,;-4.48,-39.85,;-4.08,-41.35,;-3.16,-42.6,;-1.62,-42.6,;-.85,-43.93,;-1.62,-45.27,;-.86,-46.6,;.69,-46.6,;1.46,-45.26,;.68,-43.93,;1.47,-47.94,;.7,-49.28,;3.01,-47.94,;-4.08,-43.86,;-3.6,-45.32,;-5.55,-43.38,;-6.88,-44.15,;-8.22,-43.38,;-8.22,-41.83,;-6.89,-41.06,;-5.55,-41.82,;-2.76,-40.55,;-1.41,-41.31,;-.09,-40.52,;-.11,-38.97,;1.21,-38.18,;-1.47,-38.23,;-2.79,-39.02,)|
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

NCI pathway
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KEGG

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PC cid
PC sid
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Patents

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Newcastle University

Curated by ChEMBL


Assay Description
Inhibition of Mdm2 -p53 protein interaction by ELISA


J Med Chem 54: 1233-43 (2011)


Article DOI: 10.1021/jm1011929
BindingDB Entry DOI: 10.7270/Q29K4BHN
More data for this
Ligand-Target Pair