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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' and Ligand = 'BDBM201016'   
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))
BDBM201016
PNG
(US9540373, 5 | US9879026, Example 5 | USRE47636, E...)
Show SMILES CN1C(=O)C2(CCN(C)CC2)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C30H34FN5O2/c1-35-11-9-30(10-12-35)24-15-18(6-8-26(24)36(2)29(30)38)19-3-4-20(25(31)16-19)13-23(17-32)34-28(37)27-21-5-7-22(14-21)33-27/h3-4,6,8,15-16,21-23,27,33H,5,7,9-14H2,1-2H3,(H,34,37)/t21-,22+,23-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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 μg/ml, respectively), and then activated by mixing in a 1:2 ratio with ...


US Patent US9540373 (2017)


BindingDB Entry DOI: 10.7270/Q2NK3C6R
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201016
PNG
(US9540373, 5 | US9879026, Example 5 | USRE47636, E...)
Show SMILES CN1C(=O)C2(CCN(C)CC2)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C30H34FN5O2/c1-35-11-9-30(10-12-35)24-15-18(6-8-26(24)36(2)29(30)38)19-3-4-20(25(31)16-19)13-23(17-32)34-28(37)27-21-5-7-22(14-21)33-27/h3-4,6,8,15-16,21-23,27,33H,5,7,9-14H2,1-2H3,(H,34,37)/t21-,22+,23-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Microtiterplates (Optiplate-384 F) were purchased from PerkinElmer (Prod. No. 10 6007270). The substrate Gly-Arg-AMC was from Biotrend (Pr...


US Patent USRE47636 (2019)


BindingDB Entry DOI: 10.7270/Q27D2XG4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM201016
PNG
(US9540373, 5 | US9879026, Example 5 | USRE47636, E...)
Show SMILES CN1C(=O)C2(CCN(C)CC2)c2cc(ccc12)-c1ccc(C[C@H](NC(=O)[C@H]2N[C@@H]3CC[C@H]2C3)C#N)c(F)c1 |r|
Show InChI InChI=1S/C30H34FN5O2/c1-35-11-9-30(10-12-35)24-15-18(6-8-26(24)36(2)29(30)38)19-3-4-20(25(31)16-19)13-23(17-32)34-28(37)27-21-5-7-22(14-21)33-27/h3-4,6,8,15-16,21-23,27,33H,5,7,9-14H2,1-2H3,(H,34,37)/t21-,22+,23-,27-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


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


US Patent US9879026 (2018)


BindingDB Entry DOI: 10.7270/Q2K0768M
More data for this
Ligand-Target Pair