Ki Summary

Reaction Details

Report a problem with these data

Target

Dipeptidyl peptidase 8

Ligand

BDBM50221970

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_449744 (CHEMBL898849)

IC50

30000±n/a nM

Citation

Kaelin, DE; Smenton, AL; Eiermann, GJ; He, H; Leiting, B; Lyons, KA; Patel, RA; Patel, SB; Petrov, A; Scapin, G; Wu, JK; Thornberry, NA; Weber, AE; Duffy, JL 4-arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV. Bioorg Med Chem Lett17:5806-11 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Dipeptidyl peptidase 8

Name:

Dipeptidyl peptidase 8

Synonyms:

Type:

Enzyme

Mol. Mass.:

103342.62

Organism:

Homo sapiens (Human)

Description:

Q6V1X1

Residue:

898

Sequence:

MWKRSEQMKIKSGKCNMAAAMETEQLGVEIFETADCEENIESQDRPKLEPFYVERYSWSQ
LKKLLADTRKYHGYMMAKAPHDFMFVKRNDPDGPHSDRIYYLAMSGENRENTLFYSEIPK
TINRAAVLMLSWKPLLDLFQATLDYGMYSREEELLRERKRIGTVGIASYDYHQGSGTFLF
QAGSGIYHVKDGGPQGFTQQPLRPNLVETSCPNIRMDPKLCPADPDWIAFIHSNDIWISN
IVTREERRLTYVHNELANMEEDARSAGVATFVLQEEFDRYSGYWWCPKAETTPSGGKILR
ILYEENDESEVEIIHVTSPMLETRRADSFRYPKTGTANPKVTFKMSEIMIDAEGRIIDVI
DKELIQPFEILFEGVEYIARAGWTPEGKYAWSILLDRSQTRLQIVLISPELFIPVEDDVM
ERQRLIESVPDSVTPLIIYEETTDIWINIHDIFHVFPQSHEEEIEFIFASECKTGFRHLY
KITSILKESKYKRSSGGLPAPSDFKCPIKEEIAITSGEWEVLGRHGSNIQVDEVRRLVYF
EGTKDSPLEHHLYVVSYVNPGEVTRLTDRGYSHSCCISQHCDFFISKYSNQKNPHCVSLY
KLSSPEDDPTCKTKEFWATILDSAGPLPDYTPPEIFSFESTTGFTLYGMLYKPHDLQPGK
KYPTVLFIYGGPQVQLVNNRFKGVKYFRLNTLASLGYVVVVIDNRGSCHRGLKFEGAFKY
KMGQIEIDDQVEGLQYLASRYDFIDLDRVGIHGWSYGGYLSLMALMQRSDIFRVAIAGAP
VTLWIFYDTGYTERYMGHPDQNEQGYYLGSVAMQAEKFPSEPNRLLLLHGFLDENVHFAH
TSILLSFLVRAGKPYDLQIYPQERHSIRVPESGEHYELHLLHYLQENLGSRIAALKVI

BDBM50221970

n/a

Name

BDBM50221970

Synonyms:

(2S,3S)-2-((1r,4S)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexyl)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide | (2S,3S)-3-AMINO-4-(3,3-DIFLUOROPYRROLIDIN-1-YL)-N,N-DIMETHYL-4-OXO-2-(TRANS-4-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YLCYCLOHEXYL)BUTANAMIDE | CHEMBL437557

Type

Small organic molecule

Emp. Form.

C22H30F2N6O2

Mol. Mass.

448.5094

SMILES

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@@H](CC1)c1ccc2ncnn2c1 |wU:6.6,17.23,wD:20.24,5.4,(24.12,-9.73,;24.12,-11.27,;22.79,-12.05,;25.46,-12.04,;26.79,-11.26,;25.47,-13.58,;26.8,-14.34,;26.81,-15.88,;28.13,-13.57,;28.13,-12.03,;29.47,-14.33,;30.88,-13.7,;31.91,-14.84,;31.15,-16.18,;30.74,-17.66,;32.67,-16.4,;29.64,-15.86,;24.14,-14.35,;24.14,-15.9,;22.8,-16.67,;21.47,-15.9,;21.47,-14.36,;22.8,-13.59,;20.14,-16.67,;20.14,-18.21,;18.81,-18.98,;17.47,-18.21,;16,-18.69,;15.09,-17.44,;15.99,-16.18,;17.47,-16.66,;18.81,-15.9,)|

Structure