BDBM50036603 (S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-oxo-1,2,6,7,8,9-hexahydro-2,7,9a-triaza-benzo[cd]azulene-5-carbonitrile::8-Methyl-7-(3-methyl-but-2-enyl)-1-oxo-1,2,6,7,8,9-hexahydro-2,7,9a-triaza-benzo[cd]azulene-5-carbonitrile::CHEMBL293271
SMILES: C[C@H]1Cn2c3c(CN1CC=C(C)C)c(ccc3[nH]c2=O)C#N
InChI Key: InChIKey=XFKIIUKARDMMDU-LBPRGKRZSA-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) | BDBM50036603 ((S)-8-Methyl-7-(3-methyl-but-2-enyl)-1-oxo-1,2,6,7...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.14E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Western Maryland College Curated by ChEMBL | Assay Description Inhibition of HIV-1 reverse transcriptase. | J Med Chem 41: 5272-86 (1999) Article DOI: 10.1021/jm9804174 BindingDB Entry DOI: 10.7270/Q28S4QM9 | |||||||||||
More data for this Ligand-Target Pair |