BDBM50114905 (3R,5S)-5-[5-Methylsulfanyl-4-(2,3,5,6-tetrafluoro-phenyl)-4H-[1,2,4]triazol-3-yl]-1-(naphthalene-2-sulfonyl)-pyrrolidine-3-thiol::CHEMBL49081
SMILES: CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1c(F)c(F)cc(F)c1F
InChI Key: InChIKey=NDEKPKOSSVYJAG-KDOFPFPSSA-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 |
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Endothelin-converting enzyme 1 (ECE1) (Homo sapiens (Human)) | BDBM50114905 ((3R,5S)-5-[5-Methylsulfanyl-4-(2,3,5,6-tetrafluoro...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 250 | 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 |