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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 = 'BDBM150417'   
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))
BDBM150417
PNG
(US10238633, Example 91 | US8987249, 91 | US9713606...)
Show SMILES CS(=O)(=O)N1CCN(CC1)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/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/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))
BDBM150417
PNG
(US10238633, Example 91 | US8987249, 91 | US9713606...)
Show SMILES CS(=O)(=O)N1CCN(CC1)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/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/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))
BDBM150417
PNG
(US10238633, Example 91 | US8987249, 91 | US9713606...)
Show SMILES CS(=O)(=O)N1CCN(CC1)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/C21H28FN5O3S/c1-31(29,30)27-8-6-26(7-9-27)18-5-3-14(19(22)12-18)10-17(13-23)25-21(28)20-15-2-4-16(11-15)24-20/h3,5,12,15-17,20,24H,2,4,6-11H2,1H3,(H,25,28)/t15-,16+,17-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 17n/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