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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase III' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 III


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85267
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES Clc1ccccc1C1C(C(C1c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1
Show InChI InChI=1S/C36H30Cl2N8/c37-23-7-3-1-5-21(23)29-31(35-43-25-11-9-19(17-27(25)45-35)33-39-13-14-40-33)30(22-6-2-4-8-24(22)38)32(29)36-44-26-12-10-20(18-28(26)46-36)34-41-15-16-42-34/h1-12,17-18,29-32H,13-16H2,(H,39,40)(H,41,42)(H,43,45)(H,44,46)/p+2
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n/an/a>1.70E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85264
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccccc1
Show InChI InChI=1S/C36H32N8/c1-3-7-21(8-4-1)29-31(35-41-25-13-11-23(19-27(25)43-35)33-37-15-16-38-33)30(22-9-5-2-6-10-22)32(29)36-42-26-14-12-24(20-28(26)44-36)34-39-17-18-40-34/h1-14,19-20,29-32H,15-18H2,(H,37,38)(H,39,40)(H,41,43)(H,42,44)/p+2
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n/an/a 2.80E+3 200n/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85265
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C(N)=[NH2+])c1ccccc1
Show InChI InChI=1S/C32H28N8/c33-29(34)19-11-13-21-23(15-19)39-31(37-21)27-25(17-7-3-1-4-8-17)28(26(27)18-9-5-2-6-10-18)32-38-22-14-12-20(30(35)36)16-24(22)40-32/h1-16,25-28H,(H3,33,34)(H3,35,36)(H,37,39)(H,38,40)/p+2
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n/an/a 5.60E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85269
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1Cl
Show InChI InChI=1S/C38H38Cl2N8/c1-19(2)43-35(41)21-13-15-27-29(17-21)47-37(45-27)33-31(23-9-5-7-11-25(23)39)34(32(33)24-10-6-8-12-26(24)40)38-46-28-16-14-22(18-30(28)48-38)36(42)44-20(3)4/h5-20,31-34H,1-4H3,(H2,41,43)(H2,42,44)(H,45,47)(H,46,48)/p+2
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n/an/a 6.00E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85268
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1Cl)c1nc2ccc(cc2[nH]1)C(N)=[NH2+])c1ccccc1Cl
Show InChI InChI=1S/C32H26Cl2N8/c33-19-7-3-1-5-17(19)25-27(31-39-21-11-9-15(29(35)36)13-23(21)41-31)26(18-6-2-4-8-20(18)34)28(25)32-40-22-12-10-16(30(37)38)14-24(22)42-32/h1-14,25-28H,(H3,35,36)(H3,37,38)(H,39,41)(H,40,42)/p+2
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n/an/a 7.00E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85270
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1ccco1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1ccco1
Show InChI InChI=1S/C32H28N8O2/c1-3-23(41-13-1)25-27(31-37-19-7-5-17(15-21(19)39-31)29-33-9-10-34-29)26(24-4-2-14-42-24)28(25)32-38-20-8-6-18(16-22(20)40-32)30-35-11-12-36-30/h1-8,13-16,25-28H,9-12H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)/p+2
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n/an/a 8.00E+3n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85262
PNG
(Benzimidazole derivative, 3)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc(C=Cc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C18H16N4/c1-2-4-13(5-3-1)6-9-17-21-15-8-7-14(12-16(15)22-17)18-19-10-11-20-18/h1-9,12H,10-11H2,(H,19,20)(H,21,22)/p+1/b9-6+
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n/an/a 1.00E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85271
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)C1C(C(C1c1cccs1)c1nc2ccc(cc2[nH]1)C1=[NH+]CCN1)c1cccs1
Show InChI InChI=1S/C32H28N8S2/c1-3-23(41-13-1)25-27(31-37-19-7-5-17(15-21(19)39-31)29-33-9-10-34-29)26(24-4-2-14-42-24)28(25)32-38-20-8-6-18(16-22(20)40-32)30-35-11-12-36-30/h1-8,13-16,25-28H,9-12H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)/p+2
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n/an/a 1.00E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85266
PNG
(2,4-Disubstituted-1,3-di-(5-amidino-2-benzoimidazo...)
Show SMILES CC(C)NC(=[NH2+])c1ccc2nc([nH]c2c1)C1C(C(C1c1ccccc1)c1nc2ccc(cc2[nH]1)C(N)=[NH+]C(C)C)c1ccccc1
Show InChI InChI=1S/C38H40N8/c1-21(2)41-35(39)25-15-17-27-29(19-25)45-37(43-27)33-31(23-11-7-5-8-12-23)34(32(33)24-13-9-6-10-14-24)38-44-28-18-16-26(20-30(28)46-38)36(40)42-22(3)4/h5-22,31-34H,1-4H3,(H2,39,41)(H2,40,42)(H,43,45)(H,44,46)/p+2
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n/an/a>1.00E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85261
PNG
(Benzimidazole derivative, 2)
Show SMILES C1C[NH+]=C(N1)c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C13H10N6/c1-2-9-10(5-8(1)12-15-3-4-16-12)19-13(18-9)11-6-14-7-17-11/h1-2,5-7H,3-4H2,(H,15,16)/p+1/b13-11-
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n/an/a 1.80E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50249479
PNG
(2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carb...)
Show SMILES FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3 in human erythrocytes


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50221073
PNG
((3R,4S)-1-(6-(6-methoxypyridin-3-yl)pyrimidin-4-yl...)
Show SMILES COc1ccc(cn1)-c1cc(ncn1)N1C[C@H](N)[C@H](C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H18F3N5O/c1-29-20-3-2-11(7-25-20)18-6-19(27-10-26-18)28-8-13(17(24)9-28)12-4-15(22)16(23)5-14(12)21/h2-7,10,13,17H,8-9,24H2,1H3/t13-,17+/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187283
PNG
((2R,5S)-1-(2-(1-(ethoxymethyl)cyclopentylamino)ace...)
Show SMILES CCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C16H24N4O2/c1-2-22-12-16(7-3-4-8-16)19-11-15(21)20-13(9-17)5-6-14(20)10-18/h13-14,19H,2-8,11-12H2,1H3/t13-,14+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187258
PNG
((2S,5R)-1-[2-(hexahydro-2,5-methano-pentalen-3a-yl...)
Show SMILES O=C(CNC12CC3CC1CC(C2)C3)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C17H22N4O/c18-8-14-1-2-15(9-19)21(14)16(22)10-20-17-6-11-3-12(7-17)5-13(17)4-11/h11-15,20H,1-7,10H2/t11?,12?,13?,14-,15+,17?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187266
PNG
((2R,5S)-1-(2-(1-(hydroxymethyl)cyclopentylamino)ac...)
Show SMILES OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C14H20N4O2/c15-7-11-3-4-12(8-16)18(11)13(20)9-17-14(10-19)5-1-2-6-14/h11-12,17,19H,1-6,9-10H2/t11-,12+
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187261
PNG
((2R,5S)-1-(2-(1-(butoxymethyl)cyclopentylamino)ace...)
Show SMILES CCCCOCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H28N4O2/c1-2-3-10-24-14-18(8-4-5-9-18)21-13-17(23)22-15(11-19)6-7-16(22)12-20/h15-16,21H,2-10,13-14H2,1H3/t15-,16+
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187268
PNG
((2S,5R)-1-[2-(adamantan-1-ylamino)-acetyl]-pyrroli...)
Show SMILES O=C(CNC12CC3CC(CC(C3)C1)C2)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O/c19-9-15-1-2-16(10-20)22(15)17(23)11-21-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-16,21H,1-8,11H2/t12?,13?,14?,15-,16+,18?
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187263
PNG
((2S,5R)-1-[2-(3-hydroxy-adamantan-1-ylamino)-acety...)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C18H24N4O2/c19-8-14-1-2-15(9-20)22(14)16(23)10-21-17-4-12-3-13(5-17)7-18(24,6-12)11-17/h12-15,21,24H,1-7,10-11H2/t12?,13?,14-,15+,17?,18?
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM50187275
PNG
((2R,5S)-1-(2-(1-(methoxymethyl)cyclopentylamino)ac...)
Show SMILES COCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N
Show InChI InChI=1S/C15H22N4O2/c1-21-11-15(6-2-3-7-15)18-10-14(20)19-12(8-16)4-5-13(19)9-17/h12-13,18H,2-7,10-11H2,1H3/t12-,13+
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of DPP3


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85260
PNG
(Benzimidazole derivative, 1)
Show SMILES NC(=[NH2+])c1ccc2nc([nH]c2c1)-c1c[nH]cn1
Show InChI InChI=1S/C11H8N6/c12-10(13)6-1-2-7-8(3-6)17-11(16-7)9-4-14-5-15-9/h1-5H,(H3,12,13)/p+1/b11-9-
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n/an/a 5.30E+4n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase III


(Homo sapiens (Human))
BDBM85263
PNG
(Benzimidazole derivative, 4)
Show SMILES C(=C/c1ccccc1)\c1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H12N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-11H,(H,16,17)/b11-10+
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PubMed
n/an/a>1.00E+5n/an/an/an/a7.425



The Josip Juraj Strossmayer University



Assay Description
The IC50 value is defined as the concentration of an inhibitor with caused 50% reduction of the enzyme activity under specific condition. The princi...


Citation and Details
More data for this
Ligand-Target Pair