BDBM2754 3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl)-1,1-diphenyl-1-hexen-6-ol::Alkenyldiarylmethane (ADAM) 24::Alkenyldiarylmethanes (ADAM) 24::methyl 3-chloro-5-{1-[3-chloro-4-methoxy-5-(methoxycarbonyl)phenyl]-6-hydroxyhex-1-en-1-yl}-2-methoxybenzoate
SMILES: [#6]-[#8]-[#6](=O)-c1cc(cc(Cl)c1-[#8]-[#6])-[#6](=[#6]\[#6]-[#6]-[#6]-[#6]-[#8])\c1cc(Cl)c(-[#8]-[#6])c(c1)-[#6](=O)-[#8]-[#6]
InChI Key: InChIKey=QSWOWQSOIUPDTR-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) | BDBM2754 (3,3-Dichloro-4,4-dimethoxy-5,5-bis(methoxycarbonyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | 7.9 | n/a |
Purdue University | 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 41: 2076-89 (1998) Article DOI: 10.1021/jm9800595 BindingDB Entry DOI: 10.7270/Q2251GC2 | |||||||||||
More data for this Ligand-Target Pair |