BDBM2253 2-Pyridinone derivative 33::3-[2-(7-Chlorobenzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridine-2(1H)-thione::3-[2-(7-chloro-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1,2-dihydropyridine-2-thione::CHEMBL174130
SMILES: CCc1cc(CCc2nc3cccc(Cl)c3o2)c(=S)[nH]c1C
InChI Key: InChIKey=IVRVASYPWHAIIN-UHFFFAOYSA-N
Data: 2 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) | BDBM2253 (2-Pyridinone derivative 33 | 3-[2-(7-Chlorobenzoxa...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Reserch Laboratories Curated by ChEMBL | Assay Description Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template) | J Med Chem 36: 953-66 (1993) BindingDB Entry DOI: 10.7270/Q2JW8G28 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM2253 (2-Pyridinone derivative 33 | 3-[2-(7-Chlorobenzoxa...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Reserch Laboratories Curated by ChEMBL | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 36: 953-66 (1993) BindingDB Entry DOI: 10.7270/Q2JW8G28 | |||||||||||
More data for this Ligand-Target Pair |