CHEMBL387444
POP Ki 2.7 nM; FAP Ki 14nM; DPPIV Ki 9080nM
General
Type : Pyrrolidine, Boron compound
Chemical_Nomenclature : [(2R)-1-[2-(cyclohexanecarbonylamino)acetyl]pyrrolidin-2-yl]boronic acid
Canonical SMILES : B([C@@H]1CCCN1C(=O)CNC(=O)C2CCCCC2)(O)O
InChI : InChI=1S\/C13H23BN2O4\/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10\/h10-11,19-20H,1-9H2,(H,15,18)\/t11-\/m0\/s1
InChIKey : BDSCRXMWRYZJKF-NSHDSACASA-N
Other name(s) : BDBM50200721
MW : 282.15
Formula : C13H23BN2O4
CAS_number :
PubChem : 44418233
UniChem : BDSCRXMWRYZJKF-NSHDSACASA-N
Target
Families : CHEMBL387444 ligand of proteins in family
S9N_PPCE_Peptidase_S9
DPP4N_Peptidase_S9
Protein :
human-PREP
human-FAP
References (1)
| Title : Synthesis and structure-activity relationship of N-acyl-Gly-, N-acyl-Sar- and N-blocked-boroPro inhibitors of FAP, DPP4, and POP - Tran_2007_Bioorg.Med.Chem.Lett_17_1438 |
| Author(s) : Tran T , Quan C , Edosada CY , Mayeda M , Wiesmann C , Sutherlin D , Wolf BB |
| Ref : Bioorganic & Medicinal Chemistry Lett , 17 :1438 , 2007 |
| Abstract : |
| PubMedSearch : Tran_2007_Bioorg.Med.Chem.Lett_17_1438 |
| PubMedID: 17174090 |