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BDBM222682 6-{[(1r)-1- cyclobutylethyl]amino}-8- [(4r)-4-phenyl-4,5-dihydro- 1,3-oxazol-2-yl]-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 10.22

SMILES: C[C@@H](Nc1nc(nc2nc(C3=N[C@@H](CO3)c3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1

InChI Key: InChIKey=SYJPVHRTTINILZ-COYGZYMINA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222682   
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 Mdm2


(Homo sapiens (Human))
BDBM222682
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}-8- [(4r)-4-phen...)
Show SMILES C[C@@H](Nc1nc(nc2nc(C3=N[C@@H](CO3)c3ccccc3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1
Show InChI InChI=1/C29H27F3N6O3/c1-16(18-8-5-9-18)33-23-22-24(36-25(35-23)28(39)40)37-26(27-34-21(15-41-27)19-6-3-2-4-7-19)38(22)14-17-10-12-20(13-11-17)29(30,31)32/h2-4,6-7,10-13,16,18,21H,5,8-9,14-15H2,1H3,(H,39,40)(H,33,35,36)/t16-,21+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 28.4n/an/an/an/an/a25



Merck Sharp & Dohme Corp

US Patent


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


US Patent US9540377 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X1F
More data for this
Ligand-Target Pair