BDBM50037121 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE::CHEMBL326473::{(S)-1-[(1S,2S,4R)-1-Benzyl-2-hydroxy-4-(5-isobutyryl-1H-imidazol-2-yl)-5-phenyl-pentylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccccc1)c1ncc([nH]1)C(=O)C(C)C
InChI Key: InChIKey=RQAVEWKEUKIFLD-LVPKLHHISA-N
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 |
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Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50037121 (2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Apparent inhibition constant against recombinant HIV-1 protease | J Med Chem 37: 3100-7 (1994) BindingDB Entry DOI: 10.7270/Q2T72GG9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |