BDBM224240 5-{6-(5-chloro-2- methylpyridin-3-yl)- 7-[(trans-4- methylcyclohexyl) methyl]-8-[(3r)-3- phenylmorpholin-4- yl]-7h-purin-2-yl}- 1,3,4-oxadiazol- 2(3h)-one::US9540377, 16.159

SMILES: C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cnc4C)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2)CC1

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 = 224240   

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))	BDBM224240 (5-{6-(5-chloro-2- methylpyridin-3-yl)- 7-[(trans-4...) Show SMILES C[C@H]1CC[C@H](Cn2c(nc3nc(nc(-c4cc(Cl)cnc4C)c23)-c2n[nH]c(=O)o2)N2CCOC[C@H]2c2ccccc2)CC1 |r,wU:4.4,wD:1.0,34.39,(7.09,-3.92,;5.6,-3.52,;5.21,-2.03,;3.72,-1.63,;2.63,-2.72,;1.14,-2.32,;.74,-.83,;1.65,.41,;.74,1.66,;-.72,1.18,;-2.05,1.95,;-3.39,1.18,;-3.39,-.36,;-2.05,-1.13,;-2.05,-2.67,;-.72,-3.44,;-.72,-4.98,;.61,-5.75,;-2.05,-5.75,;-3.39,-4.98,;-3.39,-3.44,;-4.72,-2.67,;-.72,-.36,;-4.72,1.95,;-6.19,1.48,;-7.09,2.72,;-6.19,3.97,;-6.96,5.3,;-4.72,3.49,;3.19,.41,;3.96,-.92,;5.5,-.92,;6.27,.41,;5.5,1.75,;3.96,1.75,;3.19,3.08,;3.96,4.41,;3.19,5.75,;1.65,5.75,;.88,4.41,;1.65,3.08,;3.03,-4.21,;4.52,-4.61,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.704	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