BDBM50022293 CHEMBL124266::N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-methyl-butylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethylamino}-butyl)-3-methyl-2-(3-methyl-butyrylamino)-butyramide
SMILES: CC(C)CCNC(=O)C(C)NC(=O)C(C[C@H](O)[C@H](CC(C)C)NC(=O)C(NC(=O)CC(C)C)C(C)C)Cc1ccccc1
InChI Key: InChIKey=XMMFPJKTYCBGFE-QHGAKUJGSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Pepsin A (Porcine) | BDBM50022293 (CHEMBL124266 | N-(2-Hydroxy-1-isobutyl-4-{1-[1-(3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of porcine pepsin | J Med Chem 30: 374-83 (1987) BindingDB Entry DOI: 10.7270/Q2KP815G | |||||||||||
More data for this Ligand-Target Pair |