BDBM331243 13-Ethoxy-8-[(S)-(4-fluorophenyl)(oxan-4-yl)methyl]-10-methanesulfonyl-5-[4-(2H3)methyl-1-methyl-1H-1,2,3-triazol-5-yl]-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2::US9725449, Example 77
SMILES: CCOc1ncc(c2n([C@@H](C3CCOCC3)c3ccc(F)cc3)c3cc(cnc3c12)-c1c(C)nnn1C)S(C)(=O)=O
InChI Key: InChIKey=BVIDOBTVRKDDJV-HHHXNRCGSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bromodomain BRD4 (Homo sapiens (Human)) | BDBM331243 (13-Ethoxy-8-[(S)-(4-fluorophenyl)(oxan-4-yl)methyl...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description The binding of compounds to bromodomain BRD4 (44-168), BRD4 (333-460), and BRD4 (1-477 or 44-460) was assessed using a time resolved fluorescent reso... | US Patent US9725449 (2017) BindingDB Entry DOI: 10.7270/Q2P55QM6 | |||||||||||
More data for this Ligand-Target Pair |