BDBM227671 5-{6-(5-chloropyridin-3- yl)-8-[1-(3-fluoropyridin- 2-yl)-1-methoxyethyl]-7- [(trans-4- methylcyclohexyl)methyl]- 7h-purin-2-yl}-1,3,4- oxadiazol-2(3h)-one (enantiomer 1)::US9540377, 23.86::US9540377, 23.87

SMILES: COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1ncccc1F

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 = 227671   

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))	BDBM227671 (5-{6-(5-chloropyridin-3- yl)-8-[1-(3-fluoropyridin...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1ncccc1F |r,wU:21.23,wD:24.27,(5.5,-.7,;3.96,-.7,;3.19,.64,;4.73,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19.6	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))	BDBM227671 (5-{6-(5-chloropyridin-3- yl)-8-[1-(3-fluoropyridin...) Show SMILES COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1n[nH]c(=O)o1)c1ncccc1F |r,wU:21.23,wD:24.27,(5.5,-.7,;3.96,-.7,;3.19,.64,;4.73,.64,;1.65,.64,;.74,1.88,;-.72,1.41,;-2.05,2.18,;-3.39,1.41,;-3.39,-.13,;-2.05,-.9,;-2.05,-2.44,;-.72,-3.21,;-.72,-4.75,;-2.05,-5.52,;-3.39,-4.75,;-4.72,-5.52,;-3.39,-3.21,;-.72,-.13,;.74,-.61,;1.14,-2.1,;2.63,-2.5,;3.72,-1.41,;5.21,-1.81,;5.6,-3.29,;7.09,-3.69,;4.52,-4.38,;3.03,-3.98,;-4.72,2.18,;-6.19,1.7,;-7.09,2.95,;-6.19,4.19,;-6.96,5.52,;-4.72,3.72,;3.96,1.97,;5.5,1.97,;6.27,3.3,;5.5,4.64,;3.96,4.64,;3.19,3.3,;1.65,3.3,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.675	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