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BDBM50226099 (S)-1-((3R,4R)-1-(4-(1H-pyrazol-5-yl)benzyl)-3-aminopyrrolidine-4-carbonyl)pyrrolidine-2-carbonitrile::CHEMBL249203

SMILES: N[C@H]1CN(Cc2ccc(cc2)-c2cc[nH]n2)C[C@H]1C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=RUZHNUBTFCTKON-KSZLIROESA-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 = 50226099   
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))
BDBM50226099
PNG
((S)-1-((3R,4R)-1-(4-(1H-pyrazol-5-yl)benzyl)-3-ami...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)-c2cc[nH]n2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H24N6O/c21-10-16-2-1-9-26(16)20(27)17-12-25(13-18(17)22)11-14-3-5-15(6-4-14)19-7-8-23-24-19/h3-8,16-18H,1-2,9,11-13,22H2,(H,23,24)/t16-,17+,18-/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 6.70n/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))
BDBM50226099
PNG
((S)-1-((3R,4R)-1-(4-(1H-pyrazol-5-yl)benzyl)-3-ami...)
Show SMILES N[C@H]1CN(Cc2ccc(cc2)-c2cc[nH]n2)C[C@H]1C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H24N6O/c21-10-16-2-1-9-26(16)20(27)17-12-25(13-18(17)22)11-14-3-5-15(6-4-14)19-7-8-23-24-19/h3-8,16-18H,1-2,9,11-13,22H2,(H,23,24)/t16-,17+,18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.26E+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