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PDB code 4G1F

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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))
BDBM50394237
PNG
(CHEMBL2159182)
Show SMILES Cn1c2nc(N)c(CN)c(-c3ccccc3Br)c2c(=O)n(C)c1=O |(12.1,-44.66,;12.11,-43.12,;13.43,-42.35,;14.76,-43.12,;16.1,-42.35,;17.44,-43.11,;16.1,-40.81,;17.43,-40.04,;18.76,-40.8,;14.77,-40.04,;14.76,-38.51,;13.43,-37.74,;13.43,-36.19,;14.76,-35.42,;16.1,-36.19,;16.1,-37.74,;17.44,-38.51,;13.43,-40.82,;12.12,-40.06,;12.12,-38.52,;10.79,-40.81,;9.46,-40.04,;10.78,-42.34,;9.45,-43.11,)|
Show InChI InChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)
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n/an/a 17n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 22: 6628-31 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.110
BindingDB Entry DOI: 10.7270/Q2X34ZKR
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