BDBM223702 3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(2s)-2- (trifluoromethyl) pyrrolidin-1-yl]-7h- purin-2-yl)-1,2,4- oxadiazol-5(4h)-one::US9540377, 11.128

SMILES: C[C@@H](Nc1nc(nc2nc(N3CCC[C@H]3C(F)(F)F)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 = 223702   

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))	BDBM223702 (3-(6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCC[C@H]3C(F)(F)F)n(C[C@H]3CC[C@H](C)CC3)c12)-c1noc(=O)[nH]1)C1CCC1 |r,wU:1.0,21.21,wD:24.25,14.15,(-3.96,-1.25,;-2.62,-2.02,;-1.29,-1.25,;-1.29,.29,;-2.62,1.06,;-2.62,2.6,;-1.29,3.37,;.05,2.6,;1.51,3.07,;2.42,1.83,;3.96,1.83,;4.86,.58,;6.33,1.06,;6.33,2.6,;4.86,3.07,;4.09,4.41,;4.86,5.74,;2.55,4.41,;3.32,5.74,;1.51,.58,;1.91,-.91,;3.4,-1.3,;4.49,-.22,;5.97,-.61,;6.37,-2.1,;7.86,-2.5,;5.28,-3.19,;3.8,-2.79,;.05,1.06,;-3.96,3.37,;-4.43,4.83,;-5.97,4.83,;-6.45,3.37,;-7.86,2.59,;-5.2,2.46,;-2.62,-3.56,;-3.71,-4.65,;-2.62,-5.74,;-1.53,-4.65,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.642	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