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SMILES: OC(=O)c1ccc2nn3[C@H]4[C@@H](COc3c2c1)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12

InChI Key: InChIKey=JJCQXIRROLOGAC-NFDQLLMUSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 374735   
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))
BDBM374735
PNG
(US10246467, Example I-6 | US10919913, # I-6)
Show SMILES OC(=O)c1ccc2nn3[C@H]4[C@@H](COc3c2c1)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C30H23Cl2FN4O4/c31-16-7-8-19-22(11-16)34-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(36(30)12-14-4-5-14)13-41-27-18-10-15(28(38)39)6-9-21(18)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/m1/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 619n/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))
BDBM374735
PNG
(US10246467, Example I-6 | US10919913, # I-6)
Show SMILES OC(=O)c1ccc2nn3[C@H]4[C@@H](COc3c2c1)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C30H23Cl2FN4O4/c31-16-7-8-19-22(11-16)34-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(36(30)12-14-4-5-14)13-41-27-18-10-15(28(38)39)6-9-21(18)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/m1/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 619n/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