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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.4
BDBM150463

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))
BDBM150463
PNG
(US10238633, Example 137 | US8987249, 137 | US97136...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@H]3C[C@@H]2[C@@H]2C[C@H]32)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H24FN5O/c1-31-23-5-4-13(6-16(23)12-28-31)14-2-3-15(21(26)8-14)7-17(11-27)29-25(32)24-20-10-22(30-24)19-9-18(19)20/h2-6,8,12,17-20,22,24,30H,7,9-10H2,1H3,(H,29,32)/t17-,18+,19-,20+,22-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 59.7n/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))
BDBM150463
PNG
(US10238633, Example 137 | US8987249, 137 | US97136...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@H]3C[C@@H]2[C@@H]2C[C@H]32)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H24FN5O/c1-31-23-5-4-13(6-16(23)12-28-31)14-2-3-15(21(26)8-14)7-17(11-27)29-25(32)24-20-10-22(30-24)19-9-18(19)20/h2-6,8,12,17-20,22,24,30H,7,9-10H2,1H3,(H,29,32)/t17-,18+,19-,20+,22-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 59.7n/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))
BDBM150463
PNG
(US10238633, Example 137 | US8987249, 137 | US97136...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@H]3C[C@@H]2[C@@H]2C[C@H]32)C#N)c(F)c1 |r|
Show InChI InChI=1S/C25H24FN5O/c1-31-23-5-4-13(6-16(23)12-28-31)14-2-3-15(21(26)8-14)7-17(11-27)29-25(32)24-20-10-22(30-24)19-9-18(19)20/h2-6,8,12,17-20,22,24,30H,7,9-10H2,1H3,(H,29,32)/t17-,18+,19-,20+,22-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 59.7n/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