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BDBM213248 6-{[(1r)-1- cyclobutylethyl]amino}- 8-(4-cyclobutylpyridin-2- yl)-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 1.54

SMILES: C[C@@H](Nc1nc(nc2nc(-c3cc(ccn3)C3CCC3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1

InChI Key: InChIKey=LKMVPAHJPSJAJM-XISACWJONA-N

Data: 1 IC50

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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 1 hit for monomerid = 213248   
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))
BDBM213248
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 8-(4-cyclobuty...)
Show SMILES C[C@@H](Nc1nc(nc2nc(-c3cc(ccn3)C3CCC3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1
Show InChI InChI=1/C29H29F3N6O2/c1-16(18-4-2-5-18)34-24-23-25(36-26(35-24)28(39)40)37-27(22-14-20(12-13-33-22)19-6-3-7-19)38(23)15-17-8-10-21(11-9-17)29(30,31)32/h8-14,16,18-19H,2-7,15H2,1H3,(H,39,40)(H,34,35,36)/t16-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.61n/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