Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 2
Ligand
BDBM50338473
Substrate
n/a
Meas. Tech.
ChEMBL_728290 (CHEMBL1687447)
IC50
3600±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 Lett 21:1880-6 (2011) [PubMed]  Article 
Target
Name:
Dipeptidyl peptidase 2
Synonyms:
DAP II | DPP2 | DPP2_HUMAN | DPP7 | Dipeptidyl aminopeptidase II | Dipeptidyl peptidase 2 (DPP II) | Dipeptidyl peptidase 2 (DPP2) | Dipeptidyl peptidase II (DDP-II) | Dipeptidyl peptidase II (DPP II) | Dipeptidyl peptidase II (DPP2) | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | QPP | carboxytripeptidase | dipeptidyl arylamidase II | dipeptidyl(amino)peptidase II | dipeptidylarylamidase
Type:
Protein
Mol. Mass.:
54339.29
Organism:
Homo sapiens (Human)
Description:
Q9UHL4
Residue:
492
Sequence:
MGSAPWAPVLLLALGLRGLQAGARRAPDPGFQERFFQQRLDHFNFERFGNKTFPQRFLVSDRFWVRGEGPIFFYTGNEGDVWAFANNSAFVAELAAERGALLVFAEHRYYGKSLPFGAQSTQRGHTELLTVEQALADFAELLRALRRDLGAQDAPAIAFGGSYGGMLSAYLRMKYPHLVAGALAASAPVLAVAGLGDSNQFFRDVTADFEGQSPKCTQGVREAFRQIKDLFLQGAYDTVRWEFGTCQPLSDEKDLTQLFMFARNAFTVLAMMDYPYPTDFLGPLPANPVKVGCDRLLSEAQRITGLRALAGLVYNASGSEHCYDIYRLYHSCADPTGCGTGPDARAWDYQACTEINLTFASNNVTDMFPDLPFTDELRQRYCLDTWGVWPRPDWLLTSFWGGDLRAASNIIFSNGNLDPWAGGGIRRNLSASVIAVTIQGGAHHLDLRASHPEDPASVVEARKLEATIIGEWVKAARREQQPALRGGPRLSL
  
Inhibitor
Name:
BDBM50338473
Synonyms:
CHEMBL1683107 | trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N-methyl-1H-indole-3-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H27F2N3O
Mol. Mass.:
411.4875
SMILES:
CN([C@H]1CC[C@@H](CC1)[C@H](N)Cc1cc(F)ccc1F)C(=O)c1c[nH]c2ccccc12 |r,wU:8.9,2.1,wD:5.4,(52.49,-23.15,;52.49,-21.61,;51.16,-20.83,;49.82,-21.6,;48.49,-20.83,;48.5,-19.29,;49.82,-18.51,;51.16,-19.29,;47.16,-18.53,;47.16,-16.99,;45.83,-19.3,;44.5,-18.53,;44.49,-16.98,;43.16,-16.22,;43.15,-14.68,;41.83,-16.99,;41.82,-18.53,;43.16,-19.3,;43.16,-20.84,;53.82,-20.84,;53.83,-19.3,;55.16,-21.61,;55.32,-23.14,;56.82,-23.46,;57.59,-22.13,;59.09,-21.82,;59.57,-20.36,;58.54,-19.22,;57.05,-19.53,;56.57,-20.98,)|
Structure:
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