BDBM50068896 (4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-acetic acid methyl ester::CHEMBL170718
SMILES: COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
InChI Key: InChIKey=HEDPACPYFUGUAZ-BXBRYHBFSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chymase (Homo sapiens (Human)) | BDBM50068896 ((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Green Cross Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against human heart chymase (HHC) | Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chymotrypsinogen A (Bos taurus (bovine)) | BDBM50068896 ((4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Green Cross Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against Chymotrypsinogen | Bioorg Med Chem Lett 8: 913-8 (1999) BindingDB Entry DOI: 10.7270/Q2GQ6WXB | |||||||||||
More data for this Ligand-Target Pair |