null
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
InChI Key:
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) | BDBM586099 (BDBM50064200 | TL-3) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.5 | -12.5 | n/a | n/a | n/a | n/a | n/a | 5.6 | 37 |
The Scripps Research Institute | Assay Description Inhibition of HIV-protease activity for selected acids at P3-P3' positions. | Chem Biol 9: 891-6 (2002) Article DOI: 10.1016/S1074-5521(02)00184-9 BindingDB Entry DOI: 10.7270/Q2GM85QP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM586099 (BDBM50064200 | TL-3) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras Curated by ChEMBL | Assay Description Inhibition of HIV1 protease expressed in Escherichia coli K12 assessed as inhibition of enzyme activity | Eur J Med Chem 44: 4344-52 (2009) Article DOI: 10.1016/j.ejmech.2009.05.016 BindingDB Entry DOI: 10.7270/Q2JH3Q0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM586099 (BDBM50064200 | TL-3) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Frederick Biomedical Supercomputing Center Curated by ChEMBL | Assay Description Inhibitory activity of the compound was measured against wild-type HIV-1 protease | J Med Chem 41: 1581-97 (1998) Article DOI: 10.1021/jm980033d BindingDB Entry DOI: 10.7270/Q27S7MWG | |||||||||||
More data for this Ligand-Target Pair |