BDBM294738 (S)-2-(tert-butoxy)-2-((M)-6-(8-fluoro-5-methylchroman-6-yl)-4,7-dimethyl-2-((S)-2-methylpyrrolidine-1-carbon yl)isoindolin-5-yl)acetic acid::US10112899, Example 212
SMILES: C[C@H]1CCCN1C(=O)N1Cc2c(C1)c(C)c(-c1cc(F)c3OCCCc3c1C)c([C@H](OC(C)(C)C)C(O)=O)c2C
InChI Key: InChIKey=MIZBYRDTJXAQMP-ADKRDUOOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM294738 ((S)-2-(tert-butoxy)-2-((M)-6-(8-fluoro-5-methylchr...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
ViiV HEALTHCARE UK LIMITED US Patent | Assay Description Antiviral HIV activity and cytotoxicity values for compounds of the invention from Table 1 were measured in parallel in the HTLV-1 transformed cell l... | US Patent US10112899 (2018) BindingDB Entry DOI: 10.7270/Q2KP8465 | |||||||||||
More data for this Ligand-Target Pair |