BDBM227678 3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluorophenyl)-1- methoxyethyl]-7-[(trans- 4- methylcyclohexyl)methyl]- 7h-purin-2-yl}-1,2,4- oxadiazol-5(4h)-one (enantiomer 2)::US9540377, 23.93
SMILES: COC(C)(c1nc2nc(nc(-c3cncc(Cl)c3)c2n1C[C@H]1CC[C@H](C)CC1)-c1noc(=O)[nH]1)c1c(F)cccc1F
InChI Key:
Data: 1 IC50
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)) | BDBM227678 (3-{6-(5-chloropyridin-3- yl)-8-[1-(2,6- difluoroph...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.452 | 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 |