BDBM50200950 (R)-tetrahydrofuran-3-yl (2S,3S)-3-(4-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1,4-diphenylbutan-2-ylcarbamate::CHEMBL386848
SMILES: Cc1ccc(Cl)cc1N1CCN(Cc2cn(nn2)[C@@H](Cc2ccccc2)[C@H](Cc2ccccc2)NC(=O)O[C@@H]2CCOC2)CC1
InChI Key: InChIKey=WNHMZWJBRKWDKI-AXIPTUPBSA-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) | BDBM50200950 ((R)-tetrahydrofuran-3-yl (2S,3S)-3-(4-((4-(5-chlor...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | J Med Chem 49: 7697-710 (2006) Article DOI: 10.1021/jm060754+ BindingDB Entry DOI: 10.7270/Q2TH8MB6 | |||||||||||
More data for this Ligand-Target Pair |