BDBM2944 4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one::Benzoxazinone deriv. 5f::CHEMBL109184
SMILES: CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
InChI Key: InChIKey=CSRAWQAIDODOJQ-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) | BDBM2944 (4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 276 | n/a | n/a | n/a | n/a | n/a | n/a |
S.G.S.I.T.S. Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 reverse transcriptase | Bioorg Med Chem Lett 14: 6089-94 (2004) Article DOI: 10.1016/j.bmcl.2004.09.068 BindingDB Entry DOI: 10.7270/Q2XS5TVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM2944 (4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 276 | 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 9: 3221-4 (1999) Article DOI: 10.1016/s0960-894x(99)00565-x BindingDB Entry DOI: 10.7270/Q2WH2N65 | |||||||||||
More data for this Ligand-Target Pair |