Reaction Details Report a problem with these data
Target
Solute carrier family 22 member 8
Ligand
BDBM50228403
Substrate
n/a
Meas. Tech.
ChEMBL_1486920 (CHEMBL3536605)
IC50
>100000±n/a nM
Citation
 Ishiguro, N; Shimizu, H; Kishimoto, W; Ebner, T; Schaefer, O Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods. Drug Metab Dispos 41:149-58 (2012) [PubMed]  Article 
Target
Name:
Solute carrier family 22 member 8
Synonyms:
OAT3 | Organic anion transporter 3 | S22A8_HUMAN | SLC22A8 | hOAT3
Type:
PROTEIN
Mol. Mass.:
59870.13
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1486920
Residue:
542
Sequence:
MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCRPPHNASTGPWVLPMGPNGKPERCLRFVHPPNASLPNDTQRAMEPCLDGWVYNSTKDSIVTEWDLVCNSNKLKEMAQSIFMAGILIGGLVLGDLSDRFGRRPILTCSYLLLAASGSGAAFSPTFPIYMVFRFLCGFGISGITLSTVILNVEWVPTRMRAIMSTALGYCYTFGQFILPGLAYAIPQWRWLQLTVSIPFFVFFLSSWWTPESIRWLVLSGKSSKALKILRRVAVFNGKKEEGERLSLEELKLNLQKEISLAKAKYTASDLFRIPMLRRMTFCLSLAWFATGFAYYSLAMGVEEFGVNLYILQIIFGGVDVPAKFITILSLSYLGRHTTQAAALLLAGGAILALTFVPLDLQTVRTVLAVFGKGCLSSSFSCLFLYTSELYPTVIRQTGMGVSNLWTRVGSMVSPLVKITGEVQPFIPNIIYGITALLGGSAALFLPETLNQPLPETIEDLENWSLRAKKPKQEPEVEKASQRIPLQPHGPGLGSS
  
Inhibitor
Name:
BDBM50228403
Synonyms:
(R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione | 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione | CHEMBL237500 | LINAGLIPTIN | US10202383, Example 2(142) | US10358449, Linagliptin | US9255098, Linagliptin | US9321791, 2(142) | US9556175, 2(142)
Type:
Small organic molecule
Emp. Form.:
C25H28N8O2
Mol. Mass.:
472.5422
SMILES:
CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Structure:
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