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BDBM213846 6-{[(1r)-1- cyclobutylethyl]amino}- 8-[4-(3,3- dimethylbutyl)pyridin-2- yl]-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 1.88

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

InChI Key: InChIKey=XJYUSWHPIOERNH-LGWFVXIRNA-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 = 213846   
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))
BDBM213846
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[4-(3,3- dim...)
Show SMILES C[C@@H](Nc1nc(nc2nc(-c3cc(CCC(C)(C)C)ccn3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1
Show InChI InChI=1/C31H35F3N6O2/c1-18(21-6-5-7-21)36-25-24-26(38-27(37-25)29(41)42)39-28(23-16-19(13-15-35-23)12-14-30(2,3)4)40(24)17-20-8-10-22(11-9-20)31(32,33)34/h8-11,13,15-16,18,21H,5-7,12,14,17H2,1-4H3,(H,41,42)(H,36,37,38)/t18-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19.6n/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