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PDB code 2OGZ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4

  (728/728 = 100%)
(Homo sapiens (Human))
BDBM15464
PNG
(4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}bu...)
Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1
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Article
n/an/a 84n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of dipeptidyl peptidase 4 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0455-6
BindingDB Entry DOI: 10.7270/Q2HH6NZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4

  (728/728 = 100%)
(Homo sapiens (Human))
BDBM15464
PNG
(4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}bu...)
Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1
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Article
PubMed
n/an/a 84n/an/an/an/a7.522



Lilly Research Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Bioorg Med Chem Lett 17: 1765-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.074
BindingDB Entry DOI: 10.7270/Q247483F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output