BDBM223681 3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[2-(1-methoxy- 1- methylethyl)pyrrolidin- 1-yl]-7-[(trans-4- methylcyclohexyl) methyl]-7h-purin-2- yl)-1,2,4-oxadiazol- 5(2h)-one::US9540377, 11.107

SMILES: COC(C)(C)C1CCCN1c1nc2nc(nc(N[C@H](C)C3CCC3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1

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 = 223681   

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))	BDBM223681 (3-(6-{[(1r)-1- cyclobutylethyl]amino}- 8-[2-(1-met...) Show SMILES COC(C)(C)C1CCCN1c1nc2nc(nc(N[C@H](C)C3CCC3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1 |r,wU:18.19,30.34,wD:27.30,(3.53,6.41,;4.3,5.07,;3.53,3.74,;1.99,3.74,;2.76,5.07,;4.3,2.41,;5.77,1.93,;5.77,.39,;4.3,-.09,;3.4,1.16,;1.86,1.16,;.95,2.41,;-.51,1.93,;-1.85,2.7,;-3.18,1.93,;-3.18,.39,;-1.85,-.38,;-1.85,-1.92,;-3.18,-2.69,;-4.51,-1.92,;-3.18,-4.23,;-4.27,-5.32,;-3.18,-6.41,;-2.09,-5.32,;-.51,.39,;.95,-.09,;1.35,-1.57,;2.84,-1.97,;3.24,-3.46,;4.72,-3.86,;5.81,-2.77,;7.3,-3.17,;5.41,-1.28,;3.93,-.88,;-4.51,2.7,;-5.76,1.8,;-7.01,2.7,;-6.53,4.17,;-7.3,5.5,;-4.99,4.17,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.507	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