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BDBM152983 US8993614, 48

SMILES: COc1cc(ccc1NC(=O)[C@@H]1NC(CC(C)(C)C)[C@@](C#N)(C1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=RYHJTAUBALMCKF-MLUPRIITNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 152983   
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))
BDBM152983
PNG
(US8993614, 48)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1NC(CC(C)(C)C)[C@@](C#N)(C1c1cccc(Cl)c1F)c1ccc(Cl)cc1F)C(=O)OCOC(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1/C36H36Cl2F2N4O8/c1-18(32(46)47)42-34(49)52-17-51-33(48)19-9-12-25(26(13-19)50-5)43-31(45)30-28(21-7-6-8-23(38)29(21)40)36(16-41,27(44-30)15-35(2,3)4)22-11-10-20(37)14-24(22)39/h6-14,18,27-28,30,44H,15,17H2,1-5H3,(H,42,49)(H,43,45)(H,46,47)/t18-,27?,28?,30+,36-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.96n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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