BindingDB logo
myBDB logout

BDBM50338514 1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)pyrrolidin-3-yl)piperidin-2-one::CHEMBL1683567

SMILES: N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1

InChI Key: InChIKey=SMUMZRSAMBQLRE-GJZGRUSLSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50338514   
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))
BDBM50338514
PNG
(1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N6O/c19-14-10-23(11-15(14)24-9-5-4-8-16(24)25)18-21-12-20-17(22-18)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50338514
PNG
(1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N6O/c19-14-10-23(11-15(14)24-9-5-4-8-16(24)25)18-21-12-20-17(22-18)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2/t14-,15-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP2


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50338514
PNG
(1-((3S,4S)-4-amino-1-(4-phenyl-1,3,5-triazin-2-yl)...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CCCCC1=O)c1ncnc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N6O/c19-14-10-23(11-15(14)24-9-5-4-8-16(24)25)18-21-12-20-17(22-18)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11,19H2/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 21: 1810-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.055
BindingDB Entry DOI: 10.7270/Q28W3DM7
More data for this
Ligand-Target Pair