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BDBM135147 US8846657, 3.39

SMILES: C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)C(O)=O)N2CCC[C@H]2C(F)(F)F)CC1

InChI Key: InChIKey=VUQFZBPMRWYNBY-AVYPCKFXSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 135147   
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))
BDBM135147
PNG
(US8846657, 3.39)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)C(O)=O)N2CCC[C@H]2C(F)(F)F)CC1
Show InChI InChI=1S/C25H27ClF3N5O2/c1-14-4-6-15(7-5-14)13-34-22-18(32-24(34)33-8-2-3-20(33)25(27,28)29)10-19(23(35)36)31-21(22)16-9-17(26)12-30-11-16/h9-12,14-15,20H,2-8,13H2,1H3,(H,35,36)/t14-,15-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...


US Patent US8962611 (2015)


BindingDB Entry DOI: 10.7270/Q28G8JDZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM135147
PNG
(US8846657, 3.39)
Show SMILES C[C@H]1CC[C@H](Cn2c(nc3cc(nc(-c4cncc(Cl)c4)c23)C(O)=O)N2CCC[C@H]2C(F)(F)F)CC1
Show InChI InChI=1S/C25H27ClF3N5O2/c1-14-4-6-15(7-5-14)13-34-22-18(32-24(34)33-8-2-3-20(33)25(27,28)29)10-19(23(35)36)31-21(22)16-9-17(26)12-30-11-16/h9-12,14-15,20H,2-8,13H2,1H3,(H,35,36)/t14-,15-,20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Methods: An HDM2 FRET assay was developed to assess the compounds' inhibitory activity towards binding of p53 protein. A truncated version of HDM2 wi...


US Patent US8846657 (2014)


BindingDB Entry DOI: 10.7270/Q29C6W3K
More data for this
Ligand-Target Pair