Ki Summary

Reaction Details

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Target

Dipeptidyl peptidase 9

Ligand

BDBM50442206

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_991616 (CHEMBL2444438)

1.2±n/a nM

Citation

Devasthale, P; Wang, Y; Wang, W; Fevig, J; Feng, J; Wang, A; Harrity, T; Egan, D; Morgan, N; Cap, M; Fura, A; Klei, HE; Kish, K; Weigelt, C; Sun, L; Levesque, P; Moulin, F; Li, YX; Zahler, R; Kirby, MS; Hamann, LG Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). J Med Chem56:7343-57 (2013) [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

BDBM50442206

n/a

Name

BDBM50442206

Synonyms:

CHEMBL2441831

Type

Small organic molecule

Emp. Form.

C19H17Cl2N5O

Mol. Mass.

402.277

SMILES

Cc1[nH]c2cn(-c3ccn(C)n3)c(=O)c2c(c1CN)-c1ccc(Cl)cc1Cl |(11.24,-14.08,;9.91,-14.86,;8.57,-14.09,;7.25,-14.86,;5.77,-14.39,;4.87,-15.65,;3.33,-15.65,;2.41,-14.41,;.95,-14.9,;.96,-16.44,;-.29,-17.35,;2.42,-16.91,;5.78,-16.89,;5.31,-18.36,;7.25,-16.41,;8.58,-17.18,;9.91,-16.41,;11.25,-17.17,;12.58,-16.4,;8.58,-18.72,;7.24,-19.48,;7.24,-21.02,;8.57,-21.79,;8.57,-23.33,;9.91,-21.02,;9.91,-19.48,;11.24,-18.71,)|

Structure