BDBM50114918 (3R,5S)-1-Methanesulfonyl-5-(5-methylsulfanyl-4-phenyl-4H-[1,2,4]triazol-3-yl)-pyrrolidine-3-thiol::CHEMBL50330
SMILES: CSc1nnc([C@@H]2C[C@@H](S)CN2S(C)(=O)=O)n1-c1ccccc1
InChI Key: InChIKey=ITNKSMAQODCFDC-NEPJUHHUSA-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)) | BDBM50114918 ((3R,5S)-1-Methanesulfonyl-5-(5-methylsulfanyl-4-ph...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.55E+4 | 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 |