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SMILES: COCCOCCNC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1

InChI Key: InChIKey=IODHMFRKMBFPPX-WNCLNVGJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 152979   
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))		BDBM152979
PNG
(US8993614, 44)
Show SMILES COCCOCCNC(=O)OC(C)OC(=O)c1ccc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@](C#N)([C@H]2c2cccc(Cl)c2F)c2ccc(Cl)cc2F)c(OC)c1 |r,Sg:n:4,3,2::ht|
Show InChI InChI=1S/C39H44Cl2F2N4O8/c1-22(55-37(50)45-14-15-53-17-16-51-5)54-36(49)23-10-13-29(30(18-23)52-6)46-35(48)34-32(25-8-7-9-27(41)33(25)43)39(21-44,31(47-34)20-38(2,3)4)26-12-11-24(40)19-28(26)42/h7-13,18-19,22,31-32,34,47H,14-17,20H2,1-6H3,(H,45,50)(H,46,48)/t22?,31-,32-,34+,39-/m0/s1
PDB
MMDB

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Similars
US Patent
n/an/a 4.86n/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
The ability of the compounds to inhibit the interaction between p53 and MDM2 proteins was measured by an HTRF (homogeneous time-resolved fluorescence...

US Patent US8993614 (2015)


BindingDB Entry DOI: 10.7270/Q27W69XV
More data for this
Ligand-Target Pair