BDBM50285453 CHEMBL292193::{(1S,2R)-1-Benzyl-3-[(S)-4-(4-bromo-thiophen-2-ylmethyl)-2-tert-butylcarbamoyl-piperazin-1-yl]-2-hydroxy-propyl}-carbamic acid (2R,3R)-2-isopropyl-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl ester
SMILES: CC(C)[C@@H]1[C@@H](CCS1(=O)=O)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2cc(Br)cs2)C[C@H]1C(=O)NC(C)(C)C
InChI Key: InChIKey=UORPPOQBOUNVPY-MUPNWXRXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50285453 (CHEMBL292193 | {(1S,2R)-1-Benzyl-3-[(S)-4-(4-bromo...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of HIV-1 Protease | Bioorg Med Chem Lett 5: 185-190 (1995) Article DOI: 10.1016/0960-894X(95)00005-E BindingDB Entry DOI: 10.7270/Q2JS9QCJ | |||||||||||
More data for this Ligand-Target Pair |