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BDBM11126 (2S)-2-amino-3-(4-phenylphenyl)-1-(pyrrolidin-1-yl)propan-1-one::4-phenylphenylalaninyl proline mimetic 13

SMILES: N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1

InChI Key: InChIKey=SXNUOZWYDHUUKD-SFHVURJKSA-N

Data: 1 KI

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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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 1 hit for monomerid = 11126   
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))
BDBM11126
PNG
((2S)-2-amino-3-(4-phenylphenyl)-1-(pyrrolidin-1-yl...)
Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C19H22N2O/c20-18(19(22)21-12-4-5-13-21)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11,18H,4-5,12-14,20H2/t18-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
1.16E+3 -8.09n/an/an/an/an/a7.425



Johnson & Johnson Pharmaceutical



Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r...


Bioorg Med Chem Lett 16: 123-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ
More data for this
Ligand-Target Pair