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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50033070   
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 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))		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))		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))		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
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
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
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 11n/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))		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
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
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))		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))		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
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
Dipeptidyl peptidase 4


(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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n/an/a 3.00E+3n/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))		BDBM50339123
PNG
(3-(aminomethyl)-N-cyclopropyl-6-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)NC2CC2)c(CN)c(C)n1
Show InChI InChI=1S/C18H21N3O2/c1-11-16(10-19)15(18(22)21-13-5-6-13)9-17(20-11)12-3-7-14(23-2)8-4-12/h3-4,7-9,13H,5-6,10,19H2,1-2H3,(H,21,22)
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n/an/a>5.00E+4n/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))		BDBM50339124
PNG
((3-(aminomethyl)-6-(4-methoxyphenyl)-2-methylpyrid...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCCC2)c(CN)c(C)n1
Show InChI InChI=1S/C19H23N3O2/c1-13-17(12-20)16(19(23)22-9-3-4-10-22)11-18(21-13)14-5-7-15(24-2)8-6-14/h5-8,11H,3-4,9-10,12,20H2,1-2H3
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n/an/a>5.00E+4n/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))		BDBM50339125
PNG
((3-(aminomethyl)-6-(4-methoxyphenyl)-2-methylpyrid...)
Show SMILES COc1ccc(cc1)-c1cc(C(=O)N2CCOCC2)c(CN)c(C)n1
Show InChI InChI=1S/C19H23N3O3/c1-13-17(12-20)16(19(23)22-7-9-25-10-8-22)11-18(21-13)14-3-5-15(24-2)6-4-14/h3-6,11H,7-10,12,20H2,1-2H3
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n/an/a>5.00E+4n/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))		BDBM50339122
PNG
((3-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methylpy...)
Show SMILES Cc1nc(cc(C(=O)N2CCOCC2)c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl2N3O2/c1-11-15(10-21)14(18(24)23-4-6-25-7-5-23)9-17(22-11)13-3-2-12(19)8-16(13)20/h2-3,8-9H,4-7,10,21H2,1H3
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n/an/a>5.00E+4n/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))		BDBM50339121
PNG
((3-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methylpy...)
Show SMILES Cc1nc(cc(C(=O)N2CCCC2)c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H19Cl2N3O/c1-11-15(10-21)14(18(24)23-6-2-3-7-23)9-17(22-11)13-5-4-12(19)8-16(13)20/h4-5,8-9H,2-3,6-7,10,21H2,1H3
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n/an/a>5.00E+4n/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))		BDBM50339120
PNG
(3-(aminomethyl)-N-cyclopropyl-6-(2,4-dichloropheny...)
Show SMILES Cc1nc(cc(C(=O)NC2CC2)c1CN)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3O/c1-9-14(8-20)13(17(23)22-11-3-4-11)7-16(21-9)12-5-2-10(18)6-15(12)19/h2,5-7,11H,3-4,8,20H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/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))		BDBM50339119
PNG
(CHEMBL1688522 | ethyl 1-(3-(aminomethyl)-6-(4-chlo...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1cc(nc(C)c1CN)-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H26ClN3O3/c1-3-29-22(28)16-8-10-26(11-9-16)21(27)18-12-20(25-14(2)19(18)13-24)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>5.00E+4n/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))		BDBM50339118
PNG
((3-(aminomethyl)-6-(4-chlorophenyl)-2-methylpyridi...)
Show SMILES Cc1nc(cc(C(=O)N2CCOCC2)c1CN)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN3O2/c1-12-16(11-20)15(18(23)22-6-8-24-9-7-22)10-17(21-12)13-2-4-14(19)5-3-13/h2-5,10H,6-9,11,20H2,1H3
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n/an/a>5.00E+4n/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))		BDBM50339117
PNG
((3-(aminomethyl)-6-(4-chlorophenyl)-2-methylpyridi...)
Show SMILES Cc1nc(cc(C(=O)N2CCCC2)c1CN)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H20ClN3O/c1-12-16(11-20)15(18(23)22-8-2-3-9-22)10-17(21-12)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11,20H2,1H3
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n/an/a>5.00E+4n/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))		BDBM50339116
PNG
((3-(aminomethyl)-6-(4-fluorophenyl)-2-methylpyridi...)
Show SMILES Cc1nc(cc(C(=O)N2CCCC2)c1CN)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3O/c1-12-16(11-20)15(18(23)22-8-2-3-9-22)10-17(21-12)13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11,20H2,1H3
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n/an/a>5.00E+4n/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))		BDBM50339115
PNG
(6-(aminomethyl)-4-(4-methoxyphenyl)-2-methylnicoti...)
Show SMILES COc1ccc(cc1)-c1cc(CN)nc(C)c1C(N)=O
Show InChI InChI=1S/C15H17N3O2/c1-9-14(15(17)19)13(7-11(8-16)18-9)10-3-5-12(20-2)6-4-10/h3-7H,8,16H2,1-2H3,(H2,17,19)
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n/an/a>5.00E+4n/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))		BDBM50339114
PNG
(6-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methylnic...)
Show SMILES Cc1nc(CN)cc(-c2ccc(Cl)cc2Cl)c1C(N)=O
Show InChI InChI=1S/C14H13Cl2N3O/c1-7-13(14(18)20)11(5-9(6-17)19-7)10-3-2-8(15)4-12(10)16/h2-5H,6,17H2,1H3,(H2,18,20)
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n/an/a>5.00E+4n/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))		BDBM50339113
PNG
(6-(aminomethyl)-4-(4-chlorophenyl)-2-methylnicotin...)
Show SMILES Cc1nc(CN)cc(-c2ccc(Cl)cc2)c1C(N)=O
Show InChI InChI=1S/C14H14ClN3O/c1-8-13(14(17)19)12(6-11(7-16)18-8)9-2-4-10(15)5-3-9/h2-6H,7,16H2,1H3,(H2,17,19)
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n/an/a>5.00E+4n/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))		BDBM50339112
PNG
(6-(aminomethyl)-4-(2-fluorophenyl)-2-methylnicotin...)
Show SMILES Cc1nc(CN)cc(-c2ccccc2F)c1C(N)=O
Show InChI InChI=1S/C14H14FN3O/c1-8-13(14(17)19)11(6-9(7-16)18-8)10-4-2-3-5-12(10)15/h2-6H,7,16H2,1H3,(H2,17,19)
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n/an/a>5.00E+4n/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))		BDBM50339111
PNG
(5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(2-...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)NCCN1CCNCC1
Show InChI InChI=1S/C21H29N5O2/c1-15-19(14-22)18(16-3-5-17(28-2)6-4-16)13-20(25-15)21(27)24-9-12-26-10-7-23-8-11-26/h3-6,13,23H,7-12,14,22H2,1-2H3,(H,24,27)
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n/an/a>5.00E+4n/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))		BDBM50339110
PNG
((5-(aminomethyl)-4-(4-methoxyphenyl)-6-methylpyrid...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)N1CCC(N)CC1
Show InChI InChI=1S/C20H26N4O2/c1-13-18(12-21)17(14-3-5-16(26-2)6-4-14)11-19(23-13)20(25)24-9-7-15(22)8-10-24/h3-6,11,15H,7-10,12,21-22H2,1-2H3
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n/an/a>5.00E+4n/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))		BDBM50339109
PNG
((R)-(5-(aminomethyl)-4-(4-methoxyphenyl)-6-methylp...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C19H24N4O2/c1-12-17(10-20)16(13-3-5-15(25-2)6-4-13)9-18(22-12)19(24)23-8-7-14(21)11-23/h3-6,9,14H,7-8,10-11,20-21H2,1-2H3/t14-/m1/s1
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n/an/a>5.00E+4n/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))		BDBM50339108
PNG
(5-(aminomethyl)-4-(4-methoxyphenyl)-6-methyl-N-(5-...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)Nc1cc(C)on1
Show InChI InChI=1S/C19H20N4O3/c1-11-8-18(23-26-11)22-19(24)17-9-15(16(10-20)12(2)21-17)13-4-6-14(25-3)7-5-13/h4-9H,10,20H2,1-3H3,(H,22,23,24)
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n/an/a>5.00E+4n/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))		BDBM50339107
PNG
(5-(aminomethyl)-N-(3,4-dichlorobenzyl)-4-(4-methox...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H21Cl2N3O2/c1-13-18(11-25)17(15-4-6-16(29-2)7-5-15)10-21(27-13)22(28)26-12-14-3-8-19(23)20(24)9-14/h3-10H,11-12,25H2,1-2H3,(H,26,28)
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n/an/a>5.00E+4n/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))		BDBM50339106
PNG
((5-(aminomethyl)-4-(4-methoxyphenyl)-6-methylpyrid...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H23N3O3/c1-13-17(12-20)16(14-3-5-15(24-2)6-4-14)11-18(21-13)19(23)22-7-9-25-10-8-22/h3-6,11H,7-10,12,20H2,1-2H3
PDB
MMDB

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n/an/a>5.00E+4n/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))		BDBM50339105
PNG
((5-(aminomethyl)-4-(4-methoxyphenyl)-6-methylpyrid...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)N1CCCC1
Show InChI InChI=1S/C19H23N3O2/c1-13-17(12-20)16(14-5-7-15(24-2)8-6-14)11-18(21-13)19(23)22-9-3-4-10-22/h5-8,11H,3-4,9-10,12,20H2,1-2H3
PDB
MMDB

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n/an/a>5.00E+4n/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))		BDBM50339104
PNG
(5-(aminomethyl)-N-cyclopropyl-4-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C)c1CN)C(=O)NC1CC1
Show InChI InChI=1S/C18H21N3O2/c1-11-16(10-19)15(12-3-7-14(23-2)8-4-12)9-17(20-11)18(22)21-13-5-6-13/h3-4,7-9,13H,5-6,10,19H2,1-2H3,(H,21,22)
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n/an/a>5.00E+4n/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))		BDBM50339093
PNG
(5-cyano-4-(2,4-dichlorophenyl)-6-methylpicolinamid...)
Show SMILES Cc1nc(cc(-c2ccc(Cl)cc2Cl)c1C#N)C(N)=O
Show InChI InChI=1S/C14H9Cl2N3O/c1-7-11(6-17)10(5-13(19-7)14(18)20)9-3-2-8(15)4-12(9)16/h2-5H,1H3,(H2,18,20)
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n/an/a>5.00E+4n/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))		BDBM50339094
PNG
(5-cyano-4-(2,4-dichlorophenyl)-N,6-dimethylpicolin...)
Show SMILES CNC(=O)c1cc(-c2ccc(Cl)cc2Cl)c(C#N)c(C)n1
Show InChI InChI=1S/C15H11Cl2N3O/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,1-2H3,(H,19,21)
PDB
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n/an/a>5.00E+4n/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