BDBM50036498 8,9-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL66043
SMILES: CC1C(C)n2c3c(CN1CC=C(C)C)cccc3[nH]c2=S
InChI Key: InChIKey=ADPRSCCYDRILNX-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM50036498 (8,9-Dimethyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetra...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
IBM Thomas J. Watson Research Center Curated by ChEMBL | Assay Description Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase | J Med Chem 39: 2129-40 (1996) Article DOI: 10.1021/jm950589q BindingDB Entry DOI: 10.7270/Q2697471 | |||||||||||
More data for this Ligand-Target Pair |