BDBM50073346 CHEMBL119998::N-{(S)-3-[Cyclopentylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-N-phenethyl-2-phenyl-acetamide
SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)Cc1ccccc1)CC1CCCC1
InChI Key: InChIKey=ZUOLTJOTYNLDSA-LJAQVGFWSA-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) | BDBM50073346 (CHEMBL119998 | N-{(S)-3-[Cyclopentylmethyl-(4-meth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Binding affinity to HIV-1 protease was determined | Bioorg Med Chem Lett 8: 3631-6 (1999) BindingDB Entry DOI: 10.7270/Q2MC8Z5V | |||||||||||
More data for this Ligand-Target Pair |