BDBM223714 3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(3r)-3- pyridin-2- ylmorpholin-4-yl]- 7h-purin-2-yl)- 1,2,4-oxadiazol- 5(4h)-one::US9540377, 11.142

SMILES: C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccn3)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 = 223714   

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))	BDBM223714 (3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccn3)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,24.25,wD:27.29,15.16,(-4.51,-1.96,;-3.18,-2.73,;-1.85,-1.96,;-1.85,-.42,;-3.18,.35,;-3.18,1.89,;-1.85,2.66,;-.51,1.89,;.95,2.36,;1.86,1.12,;3.4,1.12,;4.17,-.22,;5.71,-.22,;6.48,1.12,;5.71,2.45,;4.17,2.45,;3.4,3.78,;1.86,3.78,;1.09,5.12,;1.86,6.45,;3.4,6.45,;4.17,5.12,;.95,-.13,;1.35,-1.62,;2.84,-2.02,;3.93,-.93,;5.41,-1.32,;5.81,-2.81,;7.3,-3.21,;4.72,-3.9,;3.24,-3.5,;-.51,.35,;-4.51,2.66,;-5.76,1.75,;-7.01,2.66,;-6.53,4.12,;-7.3,5.45,;-4.99,4.12,;-3.18,-4.27,;-4.27,-5.36,;-3.18,-6.45,;-2.09,-5.36,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.774	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