BDBM224295 6-{[(1r)-1-cyclobutylethyl]amino}- 7-[(trans-4-ethylcyclohexyl)methyl]- 8-[(3r)-3-phenylmorpholin-4-yl]- 7h-purine-2-carboxylic acid::US9540377, 18.21

SMILES: CC[C@H]1CC[C@H](Cn2c(nc3nc(nc(N[C@H](C)C4CCC4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1

InChI Key: InChIKey=YZQMOCBVNBZDLT-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 = 224295   

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))	BDBM224295 (6-{[(1r)-1-cyclobutylethyl]amino}- 7-[(trans-4-eth...) Show SMILES CC[C@H]1CC[C@H](Cn2c(nc3nc(nc(N[C@H](C)C4CCC4)c23)C(O)=O)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:16.16,5.5,wD:2.1,31.35,(7.12,-2.12,;6.03,-3.21,;4.54,-2.81,;4.14,-1.32,;2.66,-.93,;1.57,-2.02,;.08,-1.62,;-.32,-.13,;.59,1.12,;-.32,2.36,;-1.78,1.89,;-3.12,2.66,;-4.45,1.89,;-4.45,.35,;-3.12,-.42,;-3.12,-1.96,;-4.45,-2.73,;-5.78,-1.96,;-4.45,-4.27,;-5.54,-5.36,;-4.45,-6.45,;-3.36,-5.36,;-1.78,.35,;-5.78,2.66,;-7.12,1.89,;-5.78,4.2,;2.13,1.12,;2.9,-.22,;4.44,-.22,;5.21,1.12,;4.44,2.45,;2.9,2.45,;2.13,3.78,;2.9,5.12,;2.13,6.45,;.59,6.45,;-.18,5.12,;.59,3.78,;1.97,-3.5,;3.45,-3.9,)| Show InChI InChI=1S/C31H42N6O3/c1-3-21-12-14-22(15-13-21)18-37-26-27(32-20(2)23-10-7-11-23)33-29(30(38)39)34-28(26)35-31(37)36-16-17-40-19-25(36)24-8-5-4-6-9-24/h4-6,8-9,20-23,25H,3,7,10-19H2,1-2H3,(H,38,39)(H,32,33,34)/t20-,21-,22-,25+/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.548	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