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BDBM50265201 (S)-1-(2-((S)-1-(2-methyl-1H-indol-1-yl)propan-2-ylamino)acetyl)pyrrolidine-2-carbonitrile::CHEMBL451319

SMILES: C[C@@H](Cn1c(C)cc2ccccc12)NCC(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=PJDGWAXAFQNDBX-YOEHRIQHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265201   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50265201
PNG
((S)-1-(2-((S)-1-(2-methyl-1H-indol-1-yl)propan-2-y...)
Show SMILES C[C@@H](Cn1c(C)cc2ccccc12)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N4O/c1-14(21-12-19(24)22-9-5-7-17(22)11-20)13-23-15(2)10-16-6-3-4-8-18(16)23/h3-4,6,8,10,14,17,21H,5,7,9,12-13H2,1-2H3/t14-,17-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 69n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 expressed in baculovirus system


Eur J Med Chem 43: 1603-11 (2008)


Article DOI: 10.1016/j.ejmech.2007.11.014
BindingDB Entry DOI: 10.7270/Q2V69JCD
More data for this
Ligand-Target Pair