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Compile Data Set for Download or QSAR

Found 8 hits of ic50 for monomerid = 385068   
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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/m0/s1
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TBA



Citation and Details

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


(Homo sapiens (Human))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/m0/s1
PDB

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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))
BDBM385068
PNG
((2S)-N-[(1S)-1-Cyano-2-{4-[2-oxo-3-(2,2,2-trifluor...)
Show SMILES FC(F)(F)Cn1c2cc(ccc2oc1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2CNCCCO2)C#N)cc1
Show InChI InChI=1S/C24H23F3N4O4/c25-24(26,27)14-31-19-11-17(6-7-20(19)35-23(31)33)16-4-2-15(3-5-16)10-18(12-28)30-22(32)21-13-29-8-1-9-34-21/h2-7,11,18,21,29H,1,8-10,13-14H2,(H,30,32)/t18-,21-/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