BDBM2955 GW420867X::HBY1293::propan-2-yl (2S)-2-ethyl-7-fluoro-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxylate
SMILES: CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O
InChI Key: InChIKey=KELNNWMENBUHNS-NSHDSACASA-N
Data: 2 IC50
PDB links: 4 PDB IDs match this monomer. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2955 (GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents | PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Tecnologia em F£rmacos Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase | Eur J Med Chem 108: 455-65 (2016) BindingDB Entry DOI: 10.7270/Q2G162NX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM2955 (GW420867X | HBY1293 | propan-2-yl (2S)-2-ethyl-7-f...) | PDB MMDB B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents | MMDB PDB Article PubMed | n/a | n/a | 179 | n/a | n/a | n/a | n/a | 8.2 | 37 |
DuPont Pharmaceuticals Company | 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. | Bioorg Med Chem Lett 10: 1729-31 (2000) Article DOI: 10.1016/s0960-894x(00)00321-8 BindingDB Entry DOI: 10.7270/Q2RR1WF0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |