BDBM223756 6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- methylcyclohexyl)methyl]- n-(methylsulfonyl)-8- [(3r)-3-phenylmorpholin- 4-yl]-7h-purine-2- carboxamide::US9540377, 12.18

SMILES: C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(=O)NS(C)(=O)=O)C1CCC1

InChI Key: InChIKey=FNSNMYKRBJIYPZ-XAISMOLKSA-N

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 = 223756   

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))	BDBM223756 (6-{[(1r)-1- cyclobutylethyl]amino}- 7-[(trans-4- m...) Show SMILES C[C@@H](Nc1nc(nc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@H]3CC[C@H](C)CC3)c12)C(=O)NS(C)(=O)=O)C1CCC1 |r,wU:1.0,27.29,wD:24.25,15.16,(-3.91,-1.96,;-2.57,-2.73,;-1.24,-1.96,;-1.24,-.42,;-2.57,.35,;-2.57,1.89,;-1.24,2.66,;.09,1.89,;1.56,2.36,;2.46,1.12,;4,1.12,;4.77,-.22,;6.31,-.22,;7.08,1.12,;6.31,2.45,;4.77,2.45,;4,3.78,;4.77,5.12,;4,6.45,;2.46,6.45,;1.69,5.12,;2.46,3.78,;1.56,-.13,;1.96,-1.62,;3.45,-2.02,;3.84,-3.5,;5.33,-3.9,;6.42,-2.81,;7.91,-3.21,;6.02,-1.32,;4.53,-.93,;.09,.35,;-3.91,2.66,;-3.91,4.2,;-5.24,1.89,;-6.57,2.66,;-7.91,1.89,;-7.34,3.99,;-5.8,3.99,;-2.57,-4.27,;-3.66,-5.36,;-2.57,-6.45,;-1.48,-5.36,)| Show InChI InChI=1S/C31H43N7O4S/c1-20-12-14-22(15-13-20)18-38-26-27(32-21(2)23-10-7-11-23)33-29(30(39)36-43(3,40)41)34-28(26)35-31(38)37-16-17-42-19-25(37)24-8-5-4-6-9-24/h4-6,8-9,20-23,25H,7,10-19H2,1-3H3,(H,36,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.585	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