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BDBM50320118 (2S,4S)-4-fluoro-1-(2-(4-((S)-3-hydroxypyrrolidin-1-yl)-2-methyl-4-oxobutan-2-ylamino)acetyl)pyrrolidine-2-carbonitrile::CHEMBL1082464

SMILES: CC(C)(CC(=O)N1CC[C@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N

InChI Key: InChIKey=ZIIJSCTUDMLPOE-AVGNSLFASA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50320118   
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 VIII


(Homo sapiens (Human))
BDBM50320118
PNG
((2S,4S)-4-fluoro-1-(2-(4-((S)-3-hydroxypyrrolidin-...)
Show SMILES CC(C)(CC(=O)N1CC[C@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50320118
PNG
((2S,4S)-4-fluoro-1-(2-(4-((S)-3-hydroxypyrrolidin-...)
Show SMILES CC(C)(CC(=O)N1CC[C@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50320118
PNG
((2S,4S)-4-fluoro-1-(2-(4-((S)-3-hydroxypyrrolidin-...)
Show SMILES CC(C)(CC(=O)N1CC[C@H](O)C1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N |r|
Show InChI InChI=1S/C16H25FN4O3/c1-16(2,6-14(23)20-4-3-13(22)10-20)19-8-15(24)21-9-11(17)5-12(21)7-18/h11-13,19,22H,3-6,8-10H2,1-2H3/t11-,12-,13-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 20: 3596-600 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.124
BindingDB Entry DOI: 10.7270/Q29Z953W
More data for this
Ligand-Target Pair