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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.5
BDBM150569

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 1


(Homo sapiens (Human))
BDBM150569
PNG
(US10238633, Example 243 | US8987249, 243 | US97136...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cnn(c1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H24FN5O3S/c26-23-12-16(19-14-28-31(15-19)35(33,34)22-4-2-1-3-5-22)6-7-17(23)10-21(13-27)30-25(32)24-18-8-9-20(11-18)29-24/h1-7,12,14-15,18,20-21,24,29H,8-11H2,(H,30,32)/t18-,20+,21-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 ug/ml, respectively), and then activated by mixing in a 1:2 ratio with a Cys...


US Patent US8987249 (2015)


BindingDB Entry DOI: 10.7270/Q2KP80WG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM150569
PNG
(US10238633, Example 243 | US8987249, 243 | US97136...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cnn(c1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H24FN5O3S/c26-23-12-16(19-14-28-31(15-19)35(33,34)22-4-2-1-3-5-22)6-7-17(23)10-21(13-27)30-25(32)24-18-8-9-20(11-18)29-24/h1-7,12,14-15,18,20-21,24,29H,8-11H2,(H,30,32)/t18-,20+,21-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



Bayer HealthCare Pharmaceuticals Corporation



Assay Description
The recombinant human DPPI was diluted in TAGZyme buffer to 1 U/ml (38.1 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


J Med Chem 50: 984-1000 (2007)


BindingDB Entry DOI: 10.7270/Q22R3TZF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM150569
PNG
(US10238633, Example 243 | US8987249, 243 | US97136...)
Show SMILES Fc1cc(ccc1C[C@H](NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2)C#N)-c1cnn(c1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C25H24FN5O3S/c26-23-12-16(19-14-28-31(15-19)35(33,34)22-4-2-1-3-5-22)6-7-17(23)10-21(13-27)30-25(32)24-18-8-9-20(11-18)29-24/h1-7,12,14-15,18,20-21,24,29H,8-11H2,(H,30,32)/t18-,20+,21-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/a6.025



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 6007270). The substrate Gly-Arg-AMC was from Biotrend (Prod....


US Patent US9713606 (2017)


BindingDB Entry DOI: 10.7270/Q21G0P8M
More data for this
Ligand-Target Pair