BDBM50193565 CHEMBL445417::[1-[2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3-N-[3-N'-[valyl-phenylalanylamino]propyl]thymine]-3'-spiro-5''-[4''-amino-1'',2''-oxathiole-2'',2''-dioxide]
SMILES: CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCn1c(=O)c(C)cn(C2OC(CO[Si](C)(C)C(C)(C)C)C3(OS(=O)(=O)C=C3N)C2O[Si](C)(C)C(C)(C)C)c1=O
InChI Key: InChIKey=QSADWJWURFKDEV-HUXUFWGZSA-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 reverse transcriptase (Human immunodeficiency virus 1) | BDBM50193565 (CHEMBL445417 | [1-[2',5'-bis-O-(tert-butyldimethyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL | Assay Description Inhibition of recombinant HIV1 reverse transcriptase | J Med Chem 49: 5339-51 (2006) Article DOI: 10.1021/jm0606490 BindingDB Entry DOI: 10.7270/Q2M32VDQ | |||||||||||
More data for this Ligand-Target Pair |