Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prolyl endopeptidase FAP | ||
| Ligand | BDBM50338456 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_728293 (CHEMBL1687450) | ||
| IC50 | >35000±n/a nM | ||
| Citation |  Chen, P; Caldwell, CG; Ashton, W; Wu, JK; He, H; Lyons, KA; Thornberry, NA; Weber, AE Synthesis and evaluation of [(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexanes and 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidines as DPP-4 inhibitors. Bioorg Med Chem Lett21:1880-6 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prolyl endopeptidase FAP | |||
| Name: | Prolyl endopeptidase FAP | ||
| Synonyms: | 170 kDa melanoma membrane-bound gelatinase | FAP | Fibroblast Activation Protein (FAP) | Fibroblast activation protein alpha | Integral membrane serine protease | SEPR_HUMAN | Seprase | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 87712.48 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q12884 | ||
| Residue: | 760 | ||
| Sequence: |
| ||
| BDBM50338456 | |||
| n/a | |||
| Name | BDBM50338456 | ||
| Synonyms: | CHEMBL1683090 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methylpyridine-3-sulfonamide | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H25F2N3O2S | ||
| Mol. Mass. | 409.493 | ||
| SMILES | CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)S(=O)(=O)c1cccnc1 |r,wU:8.9,2.1,wD:5.5,(.5,-42.99,;.5,-41.45,;-.83,-40.68,;-2.17,-41.45,;-3.49,-40.68,;-3.49,-39.14,;-2.16,-38.36,;-.83,-39.14,;-4.82,-38.37,;-4.83,-36.83,;-6.16,-39.15,;-7.49,-38.38,;-7.5,-36.83,;-8.83,-36.06,;-8.84,-34.52,;-10.16,-36.84,;-10.16,-38.38,;-8.83,-39.15,;-8.83,-40.69,;1.84,-40.69,;1.06,-39.35,;2.6,-39.35,;3.17,-41.46,;4.49,-40.69,;5.81,-41.45,;5.82,-42.99,;4.49,-43.76,;3.16,-42.99,)| | ||
| Structure | 
| ||