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BDBM50165844 CHEMBL3799179

SMILES: CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cnccc1C(F)(F)F

InChI Key: InChIKey=RLLFEXUOBKPSTJ-NDKRRWIDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50165844   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50165844
PNG
(CHEMBL3799179)
Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cnccc1C(F)(F)F |r|
Show InChI InChI=1S/C35H37F6N3O3/c1-2-7-30-33(47-27-12-10-26(11-13-27)34(36,37)38,32(46)43-20-15-25(16-21-43)22-24-8-4-3-5-9-24)17-6-19-44(30)31(45)28-23-42-18-14-29(28)35(39,40)41/h3-5,8-14,18,23,25,30H,2,6-7,15-17,19-22H2,1H3/t30-,33+/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 5.83E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay


Bioorg Med Chem Lett 26: 2735-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.078
BindingDB Entry DOI: 10.7270/Q28S4RTD
More data for this
Ligand-Target Pair