Ki Summary

Reaction Details

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Target

Dipeptidyl peptidase 9

Ligand

BDBM50221976

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_449745 (CHEMBL898848)

IC50

50000±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 9

Name:

Dipeptidyl peptidase 9

Synonyms:

Type:

Enzyme

Mol. Mass.:

98260.70

Organism:

Homo sapiens (Human)

Description:

Q86TI2

Residue:

863

Sequence:

MATTGTPTADRGDAAATDDPAARFQVQKHSWDGLRSIIHGSRKYSGLIVNKAPHDFQFVQ
KTDESGPHSHRLYYLGMPYGSRENSLLYSEIPKKVRKEALLLLSWKQMLDHFQATPHHGV
YSREEELLRERKRLGVFGITSYDFHSESGLFLFQASNSLFHCRDGGKNGFMVSPMKPLEI
KTQCSGPRMDPKICPADPAFFSFINNSDLWVANIETGEERRLTFCHQGLSNVLDDPKSAG
VATFVIQEEFDRFTGYWWCPTASWEGSEGLKTLRILYEEVDESEVEVIHVPSPALEERKT
DSYRYPRTGSKNPKIALKLAEFQTDSQGKIVSTQEKELVQPFSSLFPKVEYIARAGWTRD
GKYAWAMFLDRPQQWLQLVLLPPALFIPSTENEEQRLASARAVPRNVQPYVVYEEVTNVW
INVHDIFYPFPQSEGEDELCFLRANECKTGFCHLYKVTAVLKSQGYDWSEPFSPGEDEFK
CPIKEEIALTSGEWEVLARHGSKIWVNEETKLVYFQGTKDTPLEHHLYVVSYEAAGEIVR
LTTPGFSHSCSMSQNFDMFVSHYSSVSTPPCVHVYKLSGPDDDPLHKQPRFWASMMEAAS
CPPDYVPPEIFHFHTRSDVRLYGMIYKPHALQPGKKHPTVLFVYGGPQVQLVNNSFKGIK
YLRLNTLASLGYAVVVIDGRGSCQRGLRFEGALKNQMGQVEIEDQVEGLQFVAEKYGFID
LSRVAIHGWSYGGFLSLMGLIHKPQVFKVAIAGAPVTVWMAYDTGYTERYMDVPENNQHG
YEAGSVALHVEKLPNEPNRLLILHGFLDENVHFFHTNFLVSQLIRAGKPYQLQIYPNERH
SIRCPESGEHYEVTLLHFLQEYL

BDBM50221976

n/a

Name

BDBM50221976

Synonyms:

(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-((1s,4R)-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)cyclohexyl)butanamide | CHEMBL235198

Type

Small organic molecule

Emp. Form.

C22H34F2N6O2

Mol. Mass.

452.5412

SMILES

CN(C)C(=O)[C@H]([C@H](N)C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](CC1)C1CCc2ncnn2C1 |w:23.34,wU:6.6,17.23,20.24,wD:5.4,(1.03,-21.75,;1.04,-23.29,;-.29,-24.06,;2.38,-24.05,;3.71,-23.28,;2.38,-25.59,;3.72,-26.36,;3.72,-27.9,;5.05,-25.58,;5.04,-24.04,;6.39,-26.35,;7.8,-25.71,;8.83,-26.85,;8.06,-28.19,;7.65,-29.67,;9.59,-28.42,;6.56,-27.88,;1.05,-26.37,;1.06,-27.92,;-.28,-28.69,;-1.61,-27.92,;-1.61,-26.37,;-.28,-25.6,;-2.95,-28.69,;-2.94,-30.22,;-4.27,-30.99,;-5.61,-30.22,;-7.08,-30.7,;-8,-29.46,;-7.09,-28.2,;-5.62,-28.68,;-4.28,-27.91,)|

Structure