BDBM50073357 CHEMBL332564::{(S)-3-[Cyclopentylmethyl-(4-methoxy-benzenesulfonyl)-amino]-2-hydroxy-propyl}-phenethyl-carbamic acid [1,3]dioxolan-4-ylmethyl ester
SMILES: COc1ccc(cc1)S(=O)(=O)N(C[C@@H](O)CN(CCc1ccccc1)C(=O)OCC1COCO1)CC1CCCC1
InChI Key: InChIKey=ORXUJPPMTQVWGM-PVCWFJFTSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50073357 (CHEMBL332564 | {(S)-3-[Cyclopentylmethyl-(4-methox...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 65 | 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 |