Reaction Details Report a problem with these data
Target
Dipeptidyl peptidase 3
Ligand
BDBM85269
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±0
Temperature
298.15±0 K
IC50
6e+3±n/a nM
Citation
 Agic, D; Hranjec, M; Jajcanin, N; Starcevic, K; Karminski-Zamola, G; Abramic, M Novel amidino-substituted benzimidazoles: synthesis of compounds and inhibition of dipeptidyl peptidase III. Bioorg Chem 35:153-69 (2007) [PubMed]  Article 
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:
BDBM85269
Synonyms:
2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazolyl)-cyclobutane hydrochoride, 6'
Type:
Small organic molecule
Emp. Form.:
C38H40Cl2N8
Mol. Mass.:
679.683
SMILES:
CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1Cl |w:37.43,(-.11,-8.04,;-.03,-6.5,;1.35,-5.8,;-1.32,-5.66,;-1.24,-4.12,;-2.68,-3.57,;.1,-3.35,;.1,-1.81,;1.43,-1.04,;2.76,-1.81,;4.23,-1.34,;5.13,-2.58,;4.23,-3.83,;2.76,-3.35,;1.43,-4.12,;6.67,-2.58,;7.76,-3.68,;8.85,-2.58,;7.76,-1.5,;7.76,.04,;9.1,.81,;9.1,2.35,;7.76,3.12,;6.43,2.35,;6.43,.81,;5.34,-.27,;10.39,-2.59,;10.87,-4.05,;12.41,-4.05,;13.44,-5.19,;14.94,-4.87,;15.42,-3.41,;14.39,-2.27,;12.88,-2.59,;11.64,-1.68,;16.93,-3.09,;18.07,-4.12,;17.55,-1.68,;16.65,-.44,;17.27,.97,;15.12,-.6,;7.75,-5.22,;6.42,-5.99,;6.42,-7.53,;7.75,-8.3,;9.09,-7.53,;9.09,-5.99,;10.42,-5.22,)|
Structure:
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