BDBM50155990 CHEMBL187379::{1-[(2S,4R)-1-Benzyl-4-(1-carbamoyl-2-methyl-propylcarbamoyl)-2-hydroxy-5-phenyl-pentylcarbamoyl]-ethyl}-carbamic acid benzyl ester
SMILES: CC(C)C(NC(=O)[C@@H](C[C@H](O)C(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1ccccc1)Cc1ccccc1)C(N)=O
InChI Key: InChIKey=KHDJJHQOPWRTEH-VHZOPTPUSA-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) | BDBM50155990 (CHEMBL187379 | {1-[(2S,4R)-1-Benzyl-4-(1-carbamoyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Zürich Curated by ChEMBL | Assay Description Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation | J Med Chem 47: 5791-7 (2004) Article DOI: 10.1021/jm049726m BindingDB Entry DOI: 10.7270/Q2NG4Q3W | |||||||||||
More data for this Ligand-Target Pair |