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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 1' and Ligand = 'BDBM385075'   
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))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
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n/an/a 24.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2F76HN2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 24.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2FB56W4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

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UniProtKB/SwissProt

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n/an/a 24.5n/an/an/an/an/an/a



Novartis



Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2RJ4MTP
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2ZG6X5T
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

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UniProtKB/SwissProt

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TBA

Assay Description
Examples 1-35: The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2Q243DZ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 24.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q24X5CXQ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 24.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2H99949
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 1


(Homo sapiens (Human))
BDBM385075
PNG
(US10287258, Example 35 | US10669245, Example 35 | ...)
Show SMILES CN1C(=O)CNc2ccc(cc12)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1 |r|
Show InChI InChI=1S/C24H27N5O3/c1-29-21-12-18(7-8-20(21)27-15-23(29)30)17-5-3-16(4-6-17)11-19(13-25)28-24(31)22-14-26-9-2-10-32-22/h3-8,12,19,22,26-27H,2,9-11,14-15H2,1H3,(H,28,31)/t19-,22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.5n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent


Assay Description
The activity of DPP1 was determined by measuring the enzymatic release of aminomethyl coumarin (AMC) from the peptide substrate (H-Gly-Arg-AMC), whic...


US Patent US10669245 (2020)


BindingDB Entry DOI: 10.7270/Q2862KG7
More data for this
Ligand-Target Pair