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BDBM223674 3-{8-[3-(2- chlorophenyl)morph- olin-4-yl]-6-{[(1r)- 1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2- yl}-1,2,4-oxadiazol- 5(4h)-one::US9540377, 11.100::US9540377, 11.117::US9540377, 11.118

SMILES: C[C@@H](Nc1nc(nc2nc(N3CCOCC3c3ccccc3Cl)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1

InChI Key:

Data: 3 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 3 hits for monomerid = 223674   
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))
BDBM223674
PNG
(3-{8-[3-(2- chlorophenyl)morph- olin-4-yl]-6-{[(1r...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOCC3c3ccccc3Cl)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:25.26,1.0,wD:28.30,(-4.39,-1.96,;-3.06,-2.73,;-1.72,-1.96,;-1.72,-.42,;-3.06,.35,;-3.06,1.89,;-1.72,2.66,;-.39,1.89,;1.07,2.36,;1.98,1.12,;3.52,1.12,;4.29,-.22,;5.83,-.22,;6.6,1.12,;5.83,2.45,;4.29,2.45,;3.52,3.78,;1.98,3.78,;1.21,5.12,;1.98,6.45,;3.52,6.45,;4.29,5.12,;5.83,5.12,;1.07,-.13,;1.84,-1.46,;3.18,-2.23,;4.51,-1.46,;5.84,-2.23,;5.84,-3.77,;7.18,-4.54,;4.51,-4.54,;3.18,-3.77,;-.39,.35,;-4.39,2.66,;-5.64,1.75,;-6.88,2.66,;-6.41,4.12,;-7.18,5.45,;-4.87,4.12,;-3.06,-4.27,;-4.15,-5.36,;-3.06,-6.45,;-1.97,-5.36,)|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.936n/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
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223674
PNG
(3-{8-[3-(2- chlorophenyl)morph- olin-4-yl]-6-{[(1r...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOCC3c3ccccc3Cl)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:25.26,1.0,wD:28.30,(-4.39,-1.96,;-3.06,-2.73,;-1.72,-1.96,;-1.72,-.42,;-3.06,.35,;-3.06,1.89,;-1.72,2.66,;-.39,1.89,;1.07,2.36,;1.98,1.12,;3.52,1.12,;4.29,-.22,;5.83,-.22,;6.6,1.12,;5.83,2.45,;4.29,2.45,;3.52,3.78,;1.98,3.78,;1.21,5.12,;1.98,6.45,;3.52,6.45,;4.29,5.12,;5.83,5.12,;1.07,-.13,;1.84,-1.46,;3.18,-2.23,;4.51,-1.46,;5.84,-2.23,;5.84,-3.77,;7.18,-4.54,;4.51,-4.54,;3.18,-3.77,;-.39,.35,;-4.39,2.66,;-5.64,1.75,;-6.88,2.66,;-6.41,4.12,;-7.18,5.45,;-4.87,4.12,;-3.06,-4.27,;-4.15,-5.36,;-3.06,-6.45,;-1.97,-5.36,)|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.568n/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
p53-binding protein Mdm2


(Homo sapiens (Human))
BDBM223674
PNG
(3-{8-[3-(2- chlorophenyl)morph- olin-4-yl]-6-{[(1r...)
Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOCC3c3ccccc3Cl)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:25.26,1.0,wD:28.30,(-4.39,-1.96,;-3.06,-2.73,;-1.72,-1.96,;-1.72,-.42,;-3.06,.35,;-3.06,1.89,;-1.72,2.66,;-.39,1.89,;1.07,2.36,;1.98,1.12,;3.52,1.12,;4.29,-.22,;5.83,-.22,;6.6,1.12,;5.83,2.45,;4.29,2.45,;3.52,3.78,;1.98,3.78,;1.21,5.12,;1.98,6.45,;3.52,6.45,;4.29,5.12,;5.83,5.12,;1.07,-.13,;1.84,-1.46,;3.18,-2.23,;4.51,-1.46,;5.84,-2.23,;5.84,-3.77,;7.18,-4.54,;4.51,-4.54,;3.18,-3.77,;-.39,.35,;-4.39,2.66,;-5.64,1.75,;-6.88,2.66,;-6.41,4.12,;-7.18,5.45,;-4.87,4.12,;-3.06,-4.27,;-4.15,-5.36,;-3.06,-6.45,;-1.97,-5.36,)|
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.77n/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