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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 385059   
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))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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n/an/a 14.5n/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))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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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))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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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))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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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))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM385059
PNG
((2S)-N- [(1S)-1-Cyano-2-{4-[2-oxo-3-(propan-2-yl)-...)
Show SMILES CC(C)n1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C25H28N4O4/c1-16(2)29-21-13-19(8-9-22(21)33-25(29)31)18-6-4-17(5-7-18)12-20(14-26)28-24(30)23-15-27-10-3-11-32-23/h4-9,13,16,20,23,27H,3,10-12,15H2,1-2H3,(H,28,30)/t20-,23-/m0/s1
PDB

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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