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BDBM162195 US9051279, 178

SMILES: COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCNCC1=O

InChI Key: InChIKey=AJYCGDGWEQCZPL-TXEXFGFSNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 162195   
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
p53-Binding Protein HDMX


(Homo sapiens (Human))
BDBM162195
PNG
(US9051279, 178)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCNCC1=O |r|
Show InChI InChI=1/C31H34ClN3O4/c1-19(2)39-28-17-26-23(15-27(28)38-4)16-29(36)35(31(26)22-5-9-24(32)10-6-22)25-11-7-21(8-12-25)20(3)34-14-13-33-18-30(34)37/h5-12,15,17,19-20,31,33H,13-14,16,18H2,1-4H3/t20-,31-/s2
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.58E+3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM162195
PNG
(US9051279, 178)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)[C@H](C)N1CCNCC1=O |r|
Show InChI InChI=1/C31H34ClN3O4/c1-19(2)39-28-17-26-23(15-27(28)38-4)16-29(36)35(31(26)22-5-9-24(32)10-6-22)25-11-7-21(8-12-25)20(3)34-14-13-33-18-30(34)37/h5-12,15,17,19-20,31,33H,13-14,16,18H2,1-4H3/t20-,31-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...


US Patent US9051279 (2015)


BindingDB Entry DOI: 10.7270/Q2DV1HMM
More data for this
Ligand-Target Pair