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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'schaffner' and Initial = 'ap'   
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
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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0.75n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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5.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human pancreatic CPB incubated for 25 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339102
PNG
((5-(aminomethyl)-4-(2,4-dichlorophenyl)-6-methylpy...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1
Show InChI InChI=1S/C18H19Cl2N3O/c1-11-15(10-21)14(13-5-4-12(19)8-16(13)20)9-17(22-11)18(24)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10,21H2,1H3
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2.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339100
PNG
(5-(aminomethyl)-4-(2,4-dichlorophenyl)-6-methylpic...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C14H13Cl2N3O/c1-7-11(6-17)10(5-13(19-7)14(18)20)9-3-2-8(15)4-12(9)16/h2-5H,6,17H2,1H3,(H2,18,20)
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3.30E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339101
PNG
(5-(aminomethyl)-4-(2,4-dichlorophenyl)-N,6-dimethy...)
Show SMILES CNC(=O)c1cc(c(CN)c(C)n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H15Cl2N3O/c1-8-12(7-18)11(6-14(20-8)15(21)19-2)10-4-3-9(16)5-13(10)17/h3-6H,7,18H2,1-2H3,(H,19,21)
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50229666
PNG
((2S,3S)-2-((S)-1-((2S,3S)-2-amino-3-methylpentanoy...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O
Show InChI InChI=1S/C17H31N3O4/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
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3.90E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339103
PNG
(5-Aminomethyl-4-(2,4-dichlorophenyl)-6-methyl-pyri...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCC#N
Show InChI InChI=1S/C16H14Cl2N4O/c1-9-13(8-20)12(11-3-2-10(17)6-14(11)18)7-15(22-9)16(23)21-5-4-19/h2-3,6-7H,5,8,20H2,1H3,(H,21,23)
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6.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339095
PNG
(5-(aminomethyl)-N-cyclopropyl-4-(4-fluorophenyl)-6...)
Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1CN)C(=O)NC1CC1
Show InChI InChI=1S/C17H18FN3O/c1-10-15(9-19)14(11-2-4-12(18)5-3-11)8-16(20-10)17(22)21-13-6-7-13/h2-5,8,13H,6-7,9,19H2,1H3,(H,21,22)
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1.06E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339096
PNG
((5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridi...)
Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1CN)C(=O)N1CCCC1
Show InChI InChI=1S/C18H20FN3O/c1-12-16(11-20)15(13-4-6-14(19)7-5-13)10-17(21-12)18(23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11,20H2,1H3
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1.37E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339099
PNG
(5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-N-...)
Show SMILES Cc1cc(NC(=O)c2cc(c(CN)c(C)n2)-c2ccc(F)cc2F)no1
Show InChI InChI=1S/C18H16F2N4O2/c1-9-5-17(24-26-9)23-18(25)16-7-13(14(8-21)10(2)22-16)12-4-3-11(19)6-15(12)20/h3-7H,8,21H2,1-2H3,(H,23,24,25)
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1.79E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 8


(Homo sapiens (Human))
BDBM50339098
PNG
(5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluoropheny...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(F)cc1F)C(=O)NC1CC1
Show InChI InChI=1S/C17H17F2N3O/c1-9-14(8-20)13(12-5-2-10(18)6-15(12)19)7-16(21-9)17(23)22-11-3-4-11/h2,5-7,11H,3-4,8,20H2,1H3,(H,22,23)
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1.82E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP8 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase N catalytic chain


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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2.82E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human plasma CPN incubated for 25 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575776
PNG
(CHEMBL4868605)
Show SMILES Cc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575768
PNG
(CHEMBL4846664)
Show SMILES NCCCCC1(CN(Cc2ccccc2-c2cccnc2)CCP1(O)=O)C(O)=O
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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575775
PNG
(CHEMBL4861532)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2cncnc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575770
PNG
(CHEMBL4858095)
Show SMILES COc1ccc(cn1)-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575780
PNG
(CHEMBL4878039)
Show SMILES Cn1cncc1-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339101
PNG
(5-(aminomethyl)-4-(2,4-dichlorophenyl)-N,6-dimethy...)
Show SMILES CNC(=O)c1cc(c(CN)c(C)n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H15Cl2N3O/c1-8-12(7-18)11(6-14(20-8)15(21)19-2)10-4-3-9(16)5-13(10)17/h3-6H,7,18H2,1-2H3,(H,19,21)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DPP4 by Lineweaver-Burk plot analysis


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575769
PNG
(CHEMBL4853133)
Show SMILES NCCCCC1(CN(Cc2ccccc2-c2cncnc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575779
PNG
(CHEMBL4858909)
Show SMILES COc1ccc(cc1OC)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575777
PNG
(CHEMBL4852722)
Show SMILES COc1ccc(cc1)-c1cc(F)ccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575772
PNG
(CHEMBL4875723)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(O)cc2-c2ccccc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575771
PNG
(CHEMBL4852607)
Show SMILES Cn1nc(cc1-c1ccccc1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O)C(F)(F)F |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339103
PNG
(5-Aminomethyl-4-(2,4-dichlorophenyl)-6-methyl-pyri...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(Cl)cc1Cl)C(=O)NCC#N
Show InChI InChI=1S/C16H14Cl2N4O/c1-9-13(8-20)12(11-3-2-10(17)6-14(11)18)7-15(22-9)16(23)21-5-4-19/h2-3,6-7H,5,8,20H2,1H3,(H,21,23)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575773
PNG
(CHEMBL4861840)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(Cl)cc2-c2ccc(Cl)cc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575774
PNG
(CHEMBL4854445)
Show SMILES NCCCC[C@]1(CN(Cc2ccc(F)cc2-c2ccccc2)CCP1(O)=O)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339101
PNG
(5-(aminomethyl)-4-(2,4-dichlorophenyl)-N,6-dimethy...)
Show SMILES CNC(=O)c1cc(c(CN)c(C)n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H15Cl2N3O/c1-8-12(7-18)11(6-14(20-8)15(21)19-2)10-4-3-9(16)5-13(10)17/h3-6H,7,18H2,1-2H3,(H,19,21)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339100
PNG
(5-(aminomethyl)-4-(2,4-dichlorophenyl)-6-methylpic...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(Cl)cc1Cl)C(N)=O
Show InChI InChI=1S/C14H13Cl2N3O/c1-7-11(6-17)10(5-13(19-7)14(18)20)9-3-2-8(15)4-12(9)16/h2-5H,6,17H2,1H3,(H2,18,20)
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575764
PNG
(CHEMBL4866725)
Show SMILES NCCCCC1(CN(Cc2ccccc2-c2ccccc2)CCP1(O)=O)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575778
PNG
(CHEMBL4868496)
Show SMILES COc1ccc(cc1)-c1cccc(F)c1CN1CCP(O)(=O)[C@@](CCCCN)(C1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339102
PNG
((5-(aminomethyl)-4-(2,4-dichlorophenyl)-6-methylpy...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(Cl)cc1Cl)C(=O)N1CCCC1
Show InChI InChI=1S/C18H19Cl2N3O/c1-11-15(10-21)14(13-5-4-12(19)8-16(13)20)9-17(22-11)18(24)23-6-2-3-7-23/h4-5,8-9H,2-3,6-7,10,21H2,1H3
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n/an/a 44n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339095
PNG
(5-(aminomethyl)-N-cyclopropyl-4-(4-fluorophenyl)-6...)
Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1CN)C(=O)NC1CC1
Show InChI InChI=1S/C17H18FN3O/c1-10-15(9-19)14(11-2-4-12(18)5-3-11)8-16(20-10)17(22)21-13-6-7-13/h2-5,8,13H,6-7,9,19H2,1H3,(H,21,22)
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575763
PNG
(CHEMBL4858525)
Show SMILES NCCCCC1(CN(Cc2ccccc2Br)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575741
PNG
(CHEMBL4856598)
Show SMILES NCCCC[C@]1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O |r|
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575757
PNG
(CHEMBL4861694)
Show SMILES NCCCCC1(CN(Cc2ccc(O)cc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575761
PNG
(CHEMBL4846016)
Show SMILES NCCCCC1(CN(Cc2ccc(F)cc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575760
PNG
(CHEMBL4855391)
Show SMILES NCCCCC1(CN(Cc2ccccc2Cl)CCP1(O)=O)C(O)=O
PDB
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n/an/a 161n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575758
PNG
(CHEMBL4847492)
Show SMILES NCCCCC1(CN(Cc2ccc(Cl)cc2)CCP1(O)=O)C(O)=O
PDB
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n/an/a 183n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575755
PNG
(CHEMBL4857164)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccsc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575739
PNG
(CHEMBL4862631)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575740
PNG
(CHEMBL4869435)
Show SMILES OC(=O)C(F)(F)F.NCCCCCC1(CN(Cc2ccccc2)CCP1(O)=O)C(O)=O
PDB
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n/an/a 200n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575752
PNG
(CHEMBL4855720)
Show SMILES OC(=O)C(F)(F)F.NCCCCC1(CN(Cc2ccccn2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575743
PNG
(CHEMBL4861443)
Show SMILES NCCCCC1(CC(Cc2ccccc2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575762
PNG
(CHEMBL4848798)
Show SMILES NCCCCC1(CN(Cc2ccccc2F)CCP1(O)=O)C(O)=O
PDB
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n/an/a 515n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339099
PNG
(5-(aminomethyl)-4-(2,4-difluorophenyl)-6-methyl-N-...)
Show SMILES Cc1cc(NC(=O)c2cc(c(CN)c(C)n2)-c2ccc(F)cc2F)no1
Show InChI InChI=1S/C18H16F2N4O2/c1-9-5-17(24-26-9)23-18(25)16-7-13(14(8-21)10(2)22-16)12-4-3-11(19)6-15(12)20/h3-7H,8,21H2,1-2H3,(H,23,24,25)
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n/an/a 674n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339098
PNG
(5-(aminomethyl)-N-cyclopropyl-4-(2,4-difluoropheny...)
Show SMILES Cc1nc(cc(c1CN)-c1ccc(F)cc1F)C(=O)NC1CC1
Show InChI InChI=1S/C17H17F2N3O/c1-9-14(8-20)13(12-5-2-10(18)6-15(12)19)7-16(21-9)17(23)22-11-3-4-11/h2,5-7,11H,3-4,8,20H2,1H3,(H,22,23)
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n/an/a 674n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339096
PNG
((5-(aminomethyl)-4-(4-fluorophenyl)-6-methylpyridi...)
Show SMILES Cc1nc(cc(-c2ccc(F)cc2)c1CN)C(=O)N1CCCC1
Show InChI InChI=1S/C18H20FN3O/c1-12-16(11-20)15(13-4-6-14(19)7-5-13)10-17(21-12)18(23)22-8-2-3-9-22/h4-7,10H,2-3,8-9,11,20H2,1H3
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n/an/a 686n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575759
PNG
(CHEMBL4864051)
Show SMILES NCCCCC1(CN(Cc2cccc(Cl)c2)CCP1(O)=O)C(O)=O
PDB
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TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50339097
PNG
(CHEMBL1688418 | ethyl 1-(5-(aminomethyl)-4-(4-fluo...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cc(-c2ccc(F)cc2)c(CN)c(C)n1
Show InChI InChI=1S/C22H26FN3O3/c1-3-29-22(28)16-8-10-26(11-9-16)21(27)20-12-18(19(13-24)14(2)25-20)15-4-6-17(23)7-5-15/h4-7,12,16H,3,8-11,13,24H2,1-2H3
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n/an/a 937n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA chromogrnic substrate cleavage for 16 mins preincubated with compound for 10 mins before...


ACS Med Chem Lett 1: 530-535 (2010)


Article DOI: 10.1021/ml100200c
BindingDB Entry DOI: 10.7270/Q2513ZGH
More data for this
Ligand-Target Pair
Carboxypeptidase B2


(Homo sapiens (Human))
BDBM50575736
PNG
(CHEMBL4858857)
Show SMILES OC(=O)C(F)(F)F.NCCCCCC1(CCCCCCP1(O)=O)C(O)=O
PDB
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human activated TAFI incubated for 45 mins using hippuryl-arginine as substrate by spectrophotometry


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02072
BindingDB Entry DOI: 10.7270/Q2SB49JM
More data for this
Ligand-Target Pair
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