BDBM1982 13-amino-9-ethyl-7-methyl-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one::Dibenzoxazepinone 32
SMILES: CCN1c2c(C)cccc2Oc2ccc(N)cc2C1=O
InChI Key: InChIKey=MDUVTBXIIMXLNO-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM1982 (13-amino-9-ethyl-7-methyl-2-oxa-9-azatricyclo[9.4....) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.8 | 22 |
Boehringer Ingelheim Pharmaceuticals Inc. | 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 35: 1887-97 (1992) Article DOI: 10.1021/jm00088a027 BindingDB Entry DOI: 10.7270/Q2ST7N0J | |||||||||||
More data for this Ligand-Target Pair |