BDBM224261 3-{8-[(2r)-4-acetyl- 2-phenylpiperazin-1- yl]-6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2-yl}- 1,2,4-oxadiazol- 5(4h)-one::US9540377, 17.10

SMILES: C[C@@H](Nc1nc(nc2nc(N3CCN(C[C@H]3c3ccccc3)C(C)=O)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1

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 = 224261   

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))	BDBM224261 (3-{8-[(2r)-4-acetyl- 2-phenylpiperazin-1- yl]-6-{[...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCN(C[C@H]3c3ccccc3)C(C)=O)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,27.28,wD:30.32,15.16,(-5.47,-1.96,;-4.13,-2.73,;-2.8,-1.96,;-2.8,-.42,;-4.13,.35,;-4.13,1.89,;-2.8,2.66,;-1.46,1.89,;0,2.36,;.91,1.12,;2.45,1.12,;3.22,-.22,;4.76,-.22,;5.53,1.12,;4.76,2.45,;3.22,2.45,;2.45,3.78,;3.22,5.12,;2.45,6.45,;.91,6.45,;.14,5.12,;.91,3.78,;7.07,1.12,;7.84,2.45,;7.84,-.22,;0,-.13,;.4,-1.62,;1.89,-2.02,;2.98,-.93,;4.46,-1.32,;4.86,-2.81,;6.35,-3.21,;3.77,-3.9,;2.28,-3.5,;-1.46,.35,;-5.47,2.66,;-6.93,2.18,;-7.84,3.43,;-6.93,4.67,;-7.7,6.01,;-5.47,4.2,;-4.13,-4.27,;-5.22,-5.36,;-4.13,-6.45,;-3.04,-5.36,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.215	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