BDBM50173812 5-[(E)-1-(3-Fluoro-5-trifluoromethyl-phenyl)-5-methoxycarbonyl-pent-1-enyl]-2-methoxy-3-methyl-benzoic acid methyl ester::CHEMBL194649
SMILES: COC(=O)CCC\C=C(\c1cc(F)cc(c1)C(F)(F)F)c1cc(C)c(OC)c(c1)C(=O)OC
InChI Key: InChIKey=AUXDTFNTACXDOW-FBCYGCLPSA-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) | BDBM50173812 (5-[(E)-1-(3-Fluoro-5-trifluoromethyl-phenyl)-5-met...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant HIV-1 reverse transcriptase activity | J Med Chem 48: 6140-55 (2005) Article DOI: 10.1021/jm050452s BindingDB Entry DOI: 10.7270/Q2TB16F6 | |||||||||||
More data for this Ligand-Target Pair |