BDBM50114912 (2S,4R)-4-Mercapto-2-(5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-pyrrolidine-1-carboxylic acid butyl ester::CHEMBL49451
SMILES: CCCCOC(=O)N1C[C@H](S)C[C@H]1c1nnc(SC)n1-c1ccccc1
InChI Key: InChIKey=VWGXTFDVAOABAS-CABCVRRESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50114912 ((2S,4R)-4-Mercapto-2-(5-methylsulfanyl-4-phenyl-4H...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Tested for inhibitory concentration against human Endothelin-converting enzyme 1 at 10 microM | Bioorg Med Chem Lett 12: 1727-30 (2002) BindingDB Entry DOI: 10.7270/Q2XP748S | |||||||||||
More data for this Ligand-Target Pair |