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BDBM227678 3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluorophenyl)-1- methoxyethyl]-7-[(trans- 4- methylcyclohexyl)methyl]- 7h-purin-2-yl}-1,2,4- oxadiazol-5(4h)-one (enantiomer 2)::US9540377, 23.93

SMILES: COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1c(F)cccc1F

InChI Key:

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 227678   
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))
BDBM227678
PNG
(3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...)
Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1c(F)cccc1F |r,wU:21.23,wD:24.27,(4.93,-1.67,;4.93,-.13,;3.6,.64,;3.6,-.9,;2.06,.64,;1.16,1.88,;-.31,1.41,;-1.64,2.18,;-2.98,1.41,;-2.98,-.13,;-1.64,-.9,;-1.64,-2.44,;-.31,-3.21,;-.31,-4.75,;-1.64,-5.52,;-2.98,-4.75,;-4.31,-5.52,;-2.98,-3.21,;-.31,-.13,;1.16,-.61,;1.16,-2.15,;2.49,-2.92,;3.82,-2.15,;5.16,-2.92,;5.16,-4.46,;6.49,-5.23,;3.82,-5.23,;2.49,-4.46,;-4.31,2.18,;-5.78,1.7,;-6.68,2.95,;-5.78,4.19,;-6.55,5.52,;-4.31,3.72,;4.37,1.97,;3.6,3.3,;2.06,3.3,;4.37,4.64,;5.91,4.64,;6.68,3.3,;5.91,1.97,;6.68,.64,)|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.452n/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent




US Patent US9540377 (2017)


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