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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Endothelin-converting enzyme 1 | ||
| Ligand | BDBM50114905 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_64361 | ||
| IC50 | 250±n/a nM | ||
| Citation |  Kitas, EA; Löffler, BM; Daetwyler, S; Dehmlow, H; Aebi, JD Synthesis of triazole-Tethered pyrrolidine libraries: novel ECE inhibitors. Bioorg Med Chem Lett12:1727-30 (2002) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Endothelin-converting enzyme 1 | |||
| Name: | Endothelin-converting enzyme 1 | ||
| Synonyms: | ECE-1 | ECE1 | ECE1_HUMAN | Endothelin-Converting Enzyme 1 | Endothelin-converting enzyme 1 (ECE1) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 87155.11 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P42892 | ||
| Residue: | 770 | ||
| Sequence: |
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| BDBM50114905 | |||
| n/a | |||
| Name | BDBM50114905 | ||
| Synonyms: | (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 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H18F4N4O2S3 | ||
| Mol. Mass. | 554.603 | ||
| SMILES | CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1c(F)c(F)cc(F)c1F |wU:6.5,wD:8.8,(8.53,-9.12,;7.44,-10.19,;5.95,-9.78,;5.41,-8.35,;3.88,-8.39,;3.46,-9.89,;1.97,-9.48,;1.4,-8.02,;-.14,-8.1,;-1.11,-6.9,;-.56,-9.61,;.75,-10.45,;.82,-11.99,;2.19,-12.69,;-.68,-11.57,;-.47,-12.82,;-.39,-14.34,;-1.68,-15.18,;-3.05,-14.48,;-4.34,-15.3,;-5.69,-14.62,;-5.78,-13.08,;-4.49,-12.24,;-3.12,-12.95,;-1.83,-12.11,;4.74,-10.73,;4.81,-12.27,;6.16,-12.97,;7.47,-12.16,;6.23,-14.51,;7.61,-15.21,;4.93,-15.35,;3.58,-14.63,;2.27,-15.44,;3.51,-13.09,;2.73,-11.76,)| | ||
| Structure | 
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