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SMILES: Cc1cc2nn3[C@@H]4[C@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12

InChI Key: InChIKey=MEPNXWGZCBHNAI-NCRFVDKVSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 374792   
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))
BDBM374792
PNG
(US10246467, Example I-112 | US10919913, # I-112)
Show SMILES Cc1cc2nn3[C@@H]4[C@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-9-22-19(11-18(14)29(39)40)28-38(36-22)27-24(13-42-28)37(12-15-5-6-15)31(25(27)17-3-2-4-21(33)26(17)34)20-8-7-16(32)10-23(20)35-30(31)41/h2-4,7-11,15,24-25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,27+,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10919913 (2021)

More data for this
Ligand-Target Pair
Cellular tumor antigen p53 [16-27]/E3 ubiquitin-protein ligase Mdm2 [23-117]


(Homo sapiens (Human))
BDBM374792
PNG
(US10246467, Example I-112 | US10919913, # I-112)
Show SMILES Cc1cc2nn3[C@@H]4[C@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-9-22-19(11-18(14)29(39)40)28-38(36-22)27-24(13-42-28)37(12-15-5-6-15)31(25(27)17-3-2-4-21(33)26(17)34)20-8-7-16(32)10-23(20)35-30(31)41/h2-4,7-11,15,24-25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,27+,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


J Med Chem 50: 1876-85 (2007)


BindingDB Entry DOI: 10.7270/Q2VX0JT2
More data for this
Ligand-Target Pair