BDBM50068908 CHEMBL352917::{(S)-1-[(S)-2-(1-Benzyl-3,3-difluoro-2-oxo-3-phenylcarbamoyl-propylcarbamoyl)-pyrrolidine-1-carbonyl]-2-methyl-propyl}-carbamic acid tert-butyl ester
SMILES: CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1ccccc1
InChI Key: InChIKey=PAWIHPFXDRGRSR-DJHGOXGWSA-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)) | BDBM50068908 (CHEMBL352917 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | 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)) | BDBM50068908 (CHEMBL352917 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 70 | 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 |