BDBM50099843 (S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino]-3-(S)-hydroxy-5-phenyl-1-((S)-phenylmethyl)-pentyl]-2-(4-hydroxy-2-oxo-tetrahydro-pyrimidin-1-yl)-3-methyl-butyramide::CHEMBL30207
SMILES: CC(C)[C@H](N1CCC(O)NC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
InChI Key: InChIKey=HECSHMHYHYDFLR-AILSMDFESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50099843 ((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against HIV protease | Bioorg Med Chem Lett 11: 1351-3 (2001) BindingDB Entry DOI: 10.7270/Q2HX1BX6 | |||||||||||
More data for this Ligand-Target Pair |