BDBM292 (2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(propan-2-yl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate::1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 3
SMILES: CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(C[C@H]1C(=O)NC(C)(C)C)C(C)C
InChI Key: InChIKey=OBYKBHXLZYEYIL-OFOQQJIRSA-N
Data: 2 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 protease (Human immunodeficiency virus type 1) | BDBM292 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a | |
Merck Research Laboratories | Assay Description Tested in vitro for the ability to inhibit HIV-1 protease | Bioorg Med Chem Lett 5: 2707-12 (1995) BindingDB Entry DOI: 10.7270/Q22N50FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM292 ((2R,3R)-1,1-dioxo-2-(propan-2-yl)--thiolan-3-yl N-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | n/a | n/a | 57 | n/a | n/a | n/a | n/a | 5.2 | 30 | |
Merck Research Laboratories | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | Bioorg Med Chem Lett 5: 2707-12 (1995) BindingDB Entry DOI: 10.7270/Q22N50FH | |||||||||||
More data for this Ligand-Target Pair |