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BDBM222699 6-{[(1r)-1- cyclobutylethyl]amino}-8- {[(1s)-1-(3- fluorophenyl)ethyl](prop-2- en-1-yl)amino}-7-[4- (trifluoromethyl)benzyl]- 7h-purine-2-carboxylic acid::US9540377, 10.27

SMILES: C[C@@H](Nc1nc(nc2nc(N(CC=C)[C@@H](C)c3cccc(F)c3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1

InChI Key: InChIKey=GFXOEFHAZZSXNI-QINVSXPYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 222699   
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))
BDBM222699
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}-8- {[(1s)-1-(3-...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N(CC=C)[C@@H](C)c3cccc(F)c3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1
Show InChI InChI=1/C31H32F4N6O2/c1-4-15-40(19(3)22-9-6-10-24(32)16-22)30-39-27-25(41(30)17-20-11-13-23(14-12-20)31(33,34)35)26(37-28(38-27)29(42)43)36-18(2)21-7-5-8-21/h4,6,9-14,16,18-19,21H,1,5,7-8,15,17H2,2-3H3,(H,42,43)(H,36,37,38)/t18-,19+/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.84n/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