BDBM802 Macrocycle-containing Compound 9h::tert-butyl N-[(1S)-1-{[(7S,10S,13S)-10-butyl-13-[(1R)-2-[(4-acetamidobenzene)(3-methylbutyl)sulfonamido]-1-hydroxyethyl]-8,11-dioxo-2-oxa-9,12-diazabicyclo[13.2.2]nonadeca-1(17),15,18-trien-7-yl]carbamoyl}-2-hydroxyethyl]carbamate
SMILES: CCCC[C@@H]1NC(=O)[C@H](CCCCOc2ccc(C[C@H](NC1=O)[C@H](O)CN(CCC(C)C)S(=O)(=O)c1ccc(NC(C)=O)cc1)cc2)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C
InChI Key: InChIKey=AGTAFMHGZWVOJS-OWIVKRMQSA-N
Data: 1 KI
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 Protease (Human immunodeficiency virus type 1) | BDBM802 (Macrocycle-containing Compound 9h | tert-butyl N-[...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 12 | -11.2 | n/a | n/a | n/a | n/a | n/a | 6.5 | 37 |
University of Queensland | Assay Description Inhibition constants were determined by a fluorometric assay. Ki values were calculated from either Dixon plots or Henderson plots in cases where the... | J Med Chem 45: 371-81 (2002) Article DOI: 10.1021/jm010414i BindingDB Entry DOI: 10.7270/Q2FQ9TSJ | |||||||||||
More data for this Ligand-Target Pair |