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PDB code 3SWW

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 (DPP4)

  (728/728 = 100%)
(Homo sapiens (human))
BDBM50356577
PNG
(CHEMBL1910114)
Show SMILES COCCN1Cc2c(nc(C)c(CN)c2-c2ccc(Cl)cc2Cl)C1=O |(38.51,-10.89,;39.27,-9.55,;38.5,-8.22,;39.27,-6.89,;40.8,-6.88,;41.71,-8.13,;43.17,-7.66,;43.17,-6.12,;44.5,-5.34,;45.84,-6.11,;47.17,-5.33,;45.84,-7.66,;47.18,-8.42,;48.51,-7.65,;44.5,-8.43,;44.51,-9.96,;43.17,-10.73,;43.17,-12.27,;44.5,-13.04,;44.51,-14.58,;45.84,-12.27,;45.84,-10.73,;47.17,-9.96,;41.71,-5.64,;41.24,-4.18,)|
Show InChI InChI=1S/C18H19Cl2N3O2/c1-10-13(8-21)16(12-4-3-11(19)7-15(12)20)14-9-23(5-6-25-2)18(24)17(14)22-10/h3-4,7H,5-6,8-9,21H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

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