BDBM50065589 CHEMBL95120::{(S)-1-[(S)-1-((S)-1-Formylaminomethyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC=O)C=O
InChI Key: InChIKey=YJUXQBSMFQSDMN-HJOGWXRNSA-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 rhinovirus A protease (Human rhinovirus B) | BDBM50065589 (CHEMBL95120 | {(S)-1-[(S)-1-((S)-1-Formylaminometh...) | MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | Article PubMed | 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agouron Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Binding affinity against HRV-14 3C protease. | J Med Chem 41: 2786-805 (1998) Article DOI: 10.1021/jm980071x BindingDB Entry DOI: 10.7270/Q2F76BPF | |||||||||||
More data for this Ligand-Target Pair |