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BDBM50226084 (S)-1-((3R,4R)-1-(3-cyano-4-fluorobenzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile::CHEMBL438520

SMILES: N[C@H]1CN(Cc2ccc(F)c(c2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=NRYYTYMJNQVITG-UXLLHSPISA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50226084   
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


(Homo sapiens (Human))
BDBM50226084
PNG
((S)-1-((3R,4R)-1-(3-cyano-4-fluorobenzyl)-3-aminop...)
Show SMILES N[C@H]1CN(Cc2ccc(F)c(c2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H20FN5O/c19-16-4-3-12(6-13(16)7-20)9-23-10-15(17(22)11-23)18(25)24-5-1-2-14(24)8-21/h3-4,6,14-15,17H,1-2,5,9-11,22H2/t14-,15+,17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50226084
PNG
((S)-1-((3R,4R)-1-(3-cyano-4-fluorobenzyl)-3-aminop...)
Show SMILES N[C@H]1CN(Cc2ccc(F)c(c2)C#N)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H20FN5O/c19-16-4-3-12(6-13(16)7-20)9-23-10-15(17(22)11-23)18(25)24-5-1-2-14(24)8-21/h3-4,6,14-15,17H,1-2,5,9-11,22H2/t14-,15+,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.22E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


Bioorg Med Chem Lett 17: 6707-13 (2007)


Article DOI: 10.1016/j.bmcl.2007.10.063
BindingDB Entry DOI: 10.7270/Q2ZS2W8B
More data for this
Ligand-Target Pair