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BDBM221505 6-{[(1r)-1- cyclobutylethyl]amino}- 8-{[(1s)-1-(3- fluorophenyl)ethyl] amino}-7-[4- (trifluoromethypbenzyl]- 7h-purine-2- carboxylic acid::US9540377, 9.39

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

InChI Key: InChIKey=GWGXZFOLSIVCDV-CVEARBPZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221505   
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))		BDBM221505
PNG
(6-{[(1r)-1- cyclobutylethyl]amino}- 8-{[(1s)-1-(3-...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N[C@@H](C)c3cccc(F)c3)n(Cc3ccc(cc3)C(F)(F)F)c12)C(O)=O)C1CCC1 |r|
Show InChI InChI=1S/C28H28F4N6O2/c1-15(18-5-3-6-18)33-23-22-24(36-25(35-23)26(39)40)37-27(34-16(2)19-7-4-8-21(29)13-19)38(22)14-17-9-11-20(12-10-17)28(30,31)32/h4,7-13,15-16,18H,3,5-6,14H2,1-2H3,(H,39,40)(H2,33,34,35,36,37)/t15-,16+/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.753n/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