BDBM223669 3-[6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-(octahydro- 4h-1,4-benzoxazin- 4-yl)-7h-purin-2-yl]- 1,2,4-oxadiazol- 5(4h)-one (diastereomer 1)::US9540377, 11.95::US9540377, 11.96

SMILES: C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1

InChI Key:

Data: 2 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 2 hits for monomerid = 223669   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
p53-binding protein Mdm2 (Homo sapiens (Human))	BDBM223669 (3-[6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:22.23,1.0,wD:25.27,(-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-1.44,.07,;-2.77,.84,;-2.77,2.38,;-1.44,3.15,;-.1,2.38,;1.36,2.86,;2.27,1.61,;3.81,1.61,;4.58,.28,;6.12,.28,;6.89,1.61,;6.12,2.95,;6.89,4.28,;6.12,5.62,;4.58,5.62,;3.81,4.28,;4.58,2.95,;1.36,.37,;1.36,-1.17,;2.7,-1.94,;4.03,-1.17,;5.36,-1.94,;5.36,-3.48,;6.7,-4.25,;4.03,-4.25,;2.7,-3.48,;-.1,.84,;-4.1,3.15,;-5.35,2.25,;-6.59,3.15,;-6.12,4.62,;-6.89,5.95,;-4.58,4.62,;-2.77,-3.78,;-3.86,-4.86,;-2.77,-5.95,;-1.68,-4.86,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.17	n/a	n/a	n/a	n/a	n/a	25
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
p53-binding protein Mdm2 (Homo sapiens (Human))	BDBM223669 (3-[6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC4CCCCC34)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:22.23,1.0,wD:25.27,(-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-1.44,.07,;-2.77,.84,;-2.77,2.38,;-1.44,3.15,;-.1,2.38,;1.36,2.86,;2.27,1.61,;3.81,1.61,;4.58,.28,;6.12,.28,;6.89,1.61,;6.12,2.95,;6.89,4.28,;6.12,5.62,;4.58,5.62,;3.81,4.28,;4.58,2.95,;1.36,.37,;1.36,-1.17,;2.7,-1.94,;4.03,-1.17,;5.36,-1.94,;5.36,-3.48,;6.7,-4.25,;4.03,-4.25,;2.7,-3.48,;-.1,.84,;-4.1,3.15,;-5.35,2.25,;-6.59,3.15,;-6.12,4.62,;-6.89,5.95,;-4.58,4.62,;-2.77,-3.78,;-3.86,-4.86,;-2.77,-5.95,;-1.68,-4.86,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.791	n/a	n/a	n/a	n/a	n/a	25
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