BDBM50077623 CHEMBL63831::{(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
SMILES: CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(C)C
InChI Key: InChIKey=KTUDWPVXFIWEPN-XBBFSJMHSA-N
Data: 1 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50077623 (CHEMBL63831 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology Curated by ChEMBL | Assay Description The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase | J Med Chem 42: 2041-5 (1999) Article DOI: 10.1021/jm9807306 BindingDB Entry DOI: 10.7270/Q21N809J | |||||||||||
More data for this Ligand-Target Pair |