BDBM227658 5-{8-[1-(3-chloro-2- fluorophenyl)-1- methoxyethyl]-6-(5- chloropyridin-3-yl)-7- [(trans-4- methylcyclohexyl)methyl]- 7h-purin-2-yl}-1,3,4- oxadiazol-2(3h)-one (enantiomer 1)::US9540377, 23.73::US9540377, 23.74

SMILES: COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1cccc(Cl)c1F

InChI Key:

Data: 2 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 2 hits for monomerid = 227658   

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))	BDBM227658 (5-{8-[1-(3-chloro-2- fluorophenyl)-1- methoxyethyl...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1cccc(Cl)c1F |r,wU:21.23,wD:24.27,(6.39,-.92,;5.62,.41,;4.08,.41,;4.85,-.92,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;.05,-3.44,;.05,-4.98,;-1.28,-5.75,;-2.62,-4.98,;-3.95,-5.75,;-2.62,-3.44,;.05,-.36,;1.51,-.83,;1.91,-2.32,;3.4,-2.72,;4.49,-1.63,;5.98,-2.03,;6.37,-3.52,;7.86,-3.92,;5.29,-4.61,;3.8,-4.21,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;4.85,1.75,;6.39,1.75,;7.16,3.08,;6.39,4.41,;4.85,4.41,;4.08,5.75,;4.08,3.08,;2.54,3.08,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.8	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
p53-binding protein Mdm2 (Homo sapiens (Human))	BDBM227658 (5-{8-[1-(3-chloro-2- fluorophenyl)-1- methoxyethyl...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1cccc(Cl)c1F |r,wU:21.23,wD:24.27,(6.39,-.92,;5.62,.41,;4.08,.41,;4.85,-.92,;2.42,.41,;1.51,1.66,;.05,1.18,;-1.28,1.95,;-2.62,1.18,;-2.62,-.36,;-1.28,-1.13,;-1.28,-2.67,;.05,-3.44,;.05,-4.98,;-1.28,-5.75,;-2.62,-4.98,;-3.95,-5.75,;-2.62,-3.44,;.05,-.36,;1.51,-.83,;1.91,-2.32,;3.4,-2.72,;4.49,-1.63,;5.98,-2.03,;6.37,-3.52,;7.86,-3.92,;5.29,-4.61,;3.8,-4.21,;-3.95,1.95,;-3.95,3.49,;-5.42,3.97,;-6.32,2.72,;-7.86,2.72,;-5.42,1.48,;4.85,1.75,;6.39,1.75,;7.16,3.08,;6.39,4.41,;4.85,4.41,;4.08,5.75,;4.08,3.08,;2.54,3.08,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.623	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