BDBM50193523 (E)-6-(3-cyanophenyl)-6-(2,3-dihydro-2,7-dimethyl-3-oxobenzo[d]isoxazol-5-yl)hex-5-enoic acid methyl ester::CHEMBL212395
SMILES: COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2on(C)c(=O)c2c1
InChI Key: InChIKey=OARQBNXJKCXIAC-OCKHKDLRSA-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) | BDBM50193523 ((E)-6-(3-cyanophenyl)-6-(2,3-dihydro-2,7-dimethyl-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer | J Med Chem 49: 5316-23 (2006) Article DOI: 10.1021/jm060449o BindingDB Entry DOI: 10.7270/Q2QV3M5K | |||||||||||
More data for this Ligand-Target Pair |