Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 3
Ligand
BDBM50187268
Substrate
n/a
Meas. Tech.
ChEMBL_357374 (CHEMBL854259)
IC50
>30000±n/a nM
Citation
Wright, SW; Ammirati, MJ; Andrews, KM; Brodeur, AM; Danley, DE; Doran, SD; Lillquist, JS; McClure, LD; McPherson, RK; Orena, SJ; Parker, JC; Polivkova, J; Qiu, X; Soeller, WC; Soglia, CB; Treadway, JL; VanVolkenburg, MA; Wang, H; Wilder, DC; Olson, TV cis-2,5-dicyanopyrrolidine inhibitors of dipeptidyl peptidase IV: synthesis and in vitro, in vivo, and X-ray crystallographic characterization. J Med Chem 49:3068-76 (2006) [PubMed] Article
More Info.:
Target
Name:
Dipeptidyl peptidase 3
Synonyms:
DPP3 | DPP3_HUMAN | Dipeptidyl arylamidase III | Dipeptidyl peptidase 3 | Dipeptidyl peptidase III | Dipeptidyl peptidase III (DPP III)
Type:
Enzyme
Mol. Mass.:
82565.94
Organism:
Homo sapiens (Human)
Description:
Q9NY33
Residue:
737
Sequence:
MADTQYILPNDIGVSSLDCREAFRLLSPTERLYAYHLSRAAWYGGLAVLLQTSPEAPYIYALLSRLFRAQDPDQLRQHALAEGLTEEEYQAFLVYAAGVYSNMGNYKSFGDTKFVPNLPKEKLERVILGSEAAQQHPEEVRGLWQTCGELMFSLEPRLRHLGLGKEGITTYFSGNCTMEDAKLAQDFLDSQNLSAYNTRLFKEVDGEGKPYYEVRLASVLGSEPSLDSEVTSKLKSYEFRGSPFQVTRGDYAPILQKVVEQLEKAKAYAANSHQGQMLAQYIESFTQGSIEAHKRGSRFWIQDKGPIVESYIGFIESYRDPFGSRGEFEGFVAVVNKAMSAKFERLVASAEQLLKELPWPPTFEKDKFLTPDFTSLDVLTFAGSGIPAGINIPNYDDLRQTEGFKNVSLGNVLAVAYATQREKLTFLEEDDKDLYILWKGPSFDVQVGLHELLGHGSGKLFVQDEKGAFNFDQETVINPETGEQIQSWYRSGETWDSKFSTIASSYEECRAESVGLYLCLHPQVLEIFGFEGADAEDVIYVNWLNMVRAGLLALEFYTPEAFNWRQAHMQARFVILRVLLEAGEGLVTITPTTGSDGRPDARVRLDRSKIRSVGKPALERFLRRLQVLKSTGDVAGGRALYEGYATVTDAPPECFLTLRDTVLLRKESRKLIVQPNTRLEGSDVQLLEYEASAAGLIRSFSERFPEDGPELEEILTQLATADARFWKGPSEAPSGQA
Inhibitor
Name:
BDBM50187268
Synonyms:
(2S,5R)-1-[2-(adamantan-1-ylamino)-acetyl]-pyrrolidine-2,5-dicarbonitrile | CHEMBL207980
Type:
Small organic molecule
Emp. Form.:
C18H24N4O
Mol. Mass.:
312.4094
SMILES:
O=C(CNC12CC3CC(CC(C3)C1)C2)N1[C@@H](CC[C@@H]1C#N)C#N |TLB:3:4:11:7.8.9,13:4:11:7.8.9,THB:13:8:5.4.12:11,9:8:5:12.10.11,9:10:5:7.13.8|