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Compile Data Set for Download or QSAR

Found 213 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase IV' AND taxid = 10116   
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 IV


(Rattus norvegicus (rat))
BDBM11644
PNG
((2S)-1-[(2S)-2-amino-2-cyclopentylacetyl]pyrrolidi...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H19N3O/c13-8-10-6-3-7-15(10)12(16)11(14)9-4-1-2-5-9/h9-11H,1-7,14H2/t10-,11-/m0/s1
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1 -50.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


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


(Rattus norvegicus (rat))
BDBM13792
PNG
(2-{[2-(3-aminopiperidin-1-yl)-5-methyl-4,6-dioxo-1...)
Show SMILES CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O
Show InChI InChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3
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2 -49.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


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


(Rattus norvegicus (rat))
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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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


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


(Rattus norvegicus (rat))
BDBM11645
PNG
(2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...)
Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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3 -48.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11645
PNG
(2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...)
Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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3 -48.2n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM11642
PNG
((2S,5R)-1-[(2S)-2-amino-2-cyclopentylacetyl]-5-eth...)
Show SMILES N[C@@H](C1CCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C
Show InChI InChI=1S/C14H19N3O/c1-2-11-7-8-12(9-15)17(11)14(18)13(16)10-5-3-4-6-10/h1,10-13H,3-8,16H2/t11-,12-,13-/m0/s1
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12 -44.8n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


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


(Rattus norvegicus (rat))
BDBM13805
PNG
(2-{[2-(3-aminopiperidin-1-yl)-5,6-dimethyl-4,7-dio...)
Show SMILES Cn1n(C)c(=O)c2n(Cc3ccccc3C#N)c(nc2c1=O)N1CCCC(N)C1
Show InChI InChI=1S/C20H23N7O2/c1-24-18(28)16-17(19(29)25(24)2)27(11-14-7-4-3-6-13(14)10-21)20(23-16)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3
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17 -43.9n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


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


(Rattus norvegicus (rat))
BDBM11643
PNG
((2S,5R)-1-((2S)-2-amino-2-cyclopentylethanoyl)-5-p...)
Show SMILES CC#C[C@H]1CC[C@@H](C#N)N1C(=O)[C@@H](N)C1CCCC1
Show InChI InChI=1S/C15H21N3O/c1-2-5-12-8-9-13(10-16)18(12)15(19)14(17)11-6-3-4-7-11/h11-14H,3-4,6-9,17H2,1H3/t12-,13-,14-/m0/s1
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56 -41.0n/an/an/an/an/a7.522



Abbott Laboratories



Assay Description
The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...


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


(Rattus norvegicus (rat))
BDBM50166318
PNG
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


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


(Rattus norvegicus (rat))
BDBM50166318
PNG
((S)-1-[(2S,4S)-4-(3-Chloro-4-cyano-phenylamino)-py...)
Show SMILES Clc1cc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)ccc1C#N
Show InChI InChI=1S/C17H18ClN5O/c18-15-6-12(4-3-11(15)8-19)22-13-7-16(21-10-13)17(24)23-5-1-2-14(23)9-20/h3-4,6,13-14,16,21-22H,1-2,5,7,10H2/t13-,14-,16-/m0/s1
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n/an/a 0.150n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50166319
PNG
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


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


(Rattus norvegicus (rat))
BDBM50166308
PNG
((S)-1-[(2S,4S)-4-(4-Nitro-phenylamino)-pyrrolidine...)
Show SMILES [O-][N+](=O)c1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C16H19N5O3/c17-9-14-2-1-7-20(14)16(22)15-8-12(10-18-15)19-11-3-5-13(6-4-11)21(23)24/h3-6,12,14-15,18-19H,1-2,7-8,10H2/t12-,14-,15-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50166319
PNG
(4-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(C#N)c(c1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N6O/c19-8-12-3-4-14(6-13(12)9-20)23-15-7-17(22-11-15)18(25)24-5-1-2-16(24)10-21/h3-4,6,15-17,22-23H,1-2,5,7,11H2/t15-,16-,17-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50391561
PNG
(CHEMBL2147704)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nnnn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1
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n/an/a 0.180n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50391559
PNG
(CHEMBL2147703)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C21H28N6OS/c28-20(26-12-13-29-16-26)19-14-18(15-23-19)24-8-10-25(11-9-24)21-22-6-7-27(21)17-4-2-1-3-5-17/h1-7,18-19,23H,8-16H2/t18-,19-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50166309
PNG
((S)-1-[(2S,4S)-4-(3,4-Dimethoxy-phenylamino)-pyrro...)
Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C18H24N4O3/c1-24-16-6-5-12(9-17(16)25-2)21-13-8-15(20-11-13)18(23)22-7-3-4-14(22)10-19/h5-6,9,13-15,20-21H,3-4,7-8,11H2,1-2H3/t13-,14-,15-/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50166320
PNG
((S)-1-[(2S,4S)-4-(4-Cyano-phenylamino)-pyrrolidine...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H19N5O/c18-9-12-3-5-13(6-4-12)21-14-8-16(20-11-14)17(23)22-7-1-2-15(22)10-19/h3-6,14-16,20-21H,1-2,7-8,11H2/t14-,15-,16-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50166315
PNG
(6-((3S,5S)-5-((S)-2-cyanopyrrolidine-1-carbonyl)py...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccc(cn1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H18N6O/c17-7-11-3-4-15(20-9-11)21-12-6-14(19-10-12)16(23)22-5-1-2-13(22)8-18/h3-4,9,12-14,19H,1-2,5-6,10H2,(H,20,21)/t12-,13-,14-/m0/s1
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n/an/a 0.270n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50166317
PNG
((S)-1-[(2S,4S)-4-(4-Methoxy-phenylamino)-pyrrolidi...)
Show SMILES COc1ccc(N[C@@H]2CN[C@@H](C2)C(=O)N2CCC[C@H]2C#N)cc1
Show InChI InChI=1S/C17H22N4O2/c1-23-15-6-4-12(5-7-15)20-13-9-16(19-11-13)17(22)21-8-2-3-14(21)10-18/h4-7,13-14,16,19-20H,2-3,8-9,11H2,1H3/t13-,14-,16-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50391565
PNG
(CHEMBL2147777)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1
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n/an/a 0.290n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50391567
PNG
(CHEMBL2147709)
Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C22H27F3N6OS/c23-22(24,25)19-13-20(31(27-19)16-4-2-1-3-5-16)29-8-6-28(7-9-29)17-12-18(26-14-17)21(32)30-10-11-33-15-30/h1-5,13,17-18,26H,6-12,14-15H2/t17-,18-/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50391570
PNG
(CHEMBL2147712)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccc(F)c1
Show InChI InChI=1S/C22H29FN6OS/c1-16-11-21(29(25-16)18-4-2-3-17(23)12-18)27-7-5-26(6-8-27)19-13-20(24-14-19)22(30)28-9-10-31-15-28/h2-4,11-12,19-20,24H,5-10,13-15H2,1H3/t19-,20-/m0/s1
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n/an/a 0.490n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50166311
PNG
((S)-1-((2S,4S)-4-Phenylamino-pyrrolidine-2-carbony...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)Nc1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H20N4O/c17-10-14-7-4-8-20(14)16(21)15-9-13(11-18-15)19-12-5-2-1-3-6-12/h1-3,5-6,13-15,18-19H,4,7-9,11H2/t13-,14-,15-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50391571
PNG
(CHEMBL2147713)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccc1F
Show InChI InChI=1S/C22H29FN6OS/c1-16-12-21(29(25-16)20-5-3-2-4-18(20)23)27-8-6-26(7-9-27)17-13-19(24-14-17)22(30)28-10-11-31-15-28/h2-5,12,17,19,24H,6-11,13-15H2,1H3/t17-,19-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50388115
PNG
(CHEMBL2058975)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncc(C#N)c2ccccc12)N1CCSC1
Show InChI InChI=1S/C22H26N6OS/c23-12-16-13-25-21(19-4-2-1-3-18(16)19)27-7-5-26(6-8-27)17-11-20(24-14-17)22(29)28-9-10-30-15-28/h1-4,13,17,20,24H,5-11,14-15H2/t17-,20-/m0/s1
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n/an/a 0.560n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388112
PNG
(CHEMBL2058971)
Show SMILES FC(F)(F)c1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc2n1
Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)20-12-19(16-3-1-2-4-17(16)27-20)29-7-5-28(6-8-29)15-11-18(26-13-15)21(31)30-9-10-32-14-30/h1-4,12,15,18,26H,5-11,13-14H2/t15-,18-/m0/s1
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n/an/a 0.590n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388123
PNG
(CHEMBL2058762)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccc(cc2[nH]1)C#N)N1CCSC1
Show InChI InChI=1S/C20H25N7OS/c21-11-14-1-2-16-17(9-14)24-20(23-16)26-5-3-25(4-6-26)15-10-18(22-12-15)19(28)27-7-8-29-13-27/h1-2,9,15,18,22H,3-8,10,12-13H2,(H,23,24)/t15-,18-/m0/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388119
PNG
(CHEMBL2058972)
Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C21H26ClN5OS/c22-15-1-2-17-18(11-15)23-4-3-20(17)26-7-5-25(6-8-26)16-12-19(24-13-16)21(28)27-9-10-29-14-27/h1-4,11,16,19,24H,5-10,12-14H2/t16-,19-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388127
PNG
(CHEMBL2058758)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cc(ccc2s1)C#N)N1CCSC1
Show InChI InChI=1S/C20H24N6OS2/c21-11-14-1-2-18-16(9-14)23-20(29-18)25-5-3-24(4-6-25)15-10-17(22-12-15)19(27)26-7-8-28-13-26/h1-2,9,15,17,22H,3-8,10,12-13H2/t15-,17-/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50391564
PNG
(CHEMBL2147707)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnn1-c1ccccc1)N1CCSC1
Show InChI InChI=1S/C21H28N6OS/c28-21(26-12-13-29-16-26)19-14-18(15-22-19)24-8-10-25(11-9-24)20-6-7-23-27(20)17-4-2-1-3-5-17/h1-7,18-19,22H,8-16H2/t18-,19-/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50391568
PNG
(CHEMBL2147771)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1ccccn1
Show InChI InChI=1S/C21H29N7OS/c1-16-12-20(28(24-16)19-4-2-3-5-22-19)26-8-6-25(7-9-26)17-13-18(23-14-17)21(29)27-10-11-30-15-27/h2-5,12,17-18,23H,6-11,13-15H2,1H3/t17-,18-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50388125
PNG
(CHEMBL2058756)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2cc(ccc2o1)C#N)N1CCSC1
Show InChI InChI=1S/C20H24N6O2S/c21-11-14-1-2-18-16(9-14)23-20(28-18)25-5-3-24(4-6-25)15-10-17(22-12-15)19(27)26-7-8-29-13-26/h1-2,9,15,17,22H,3-8,10,12-13H2/t15-,17-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50391576
PNG
(CHEMBL2147773)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)n(n1)-c1cccnc1
Show InChI InChI=1S/C21H29N7OS/c1-16-11-20(28(24-16)17-3-2-4-22-13-17)26-7-5-25(6-8-26)18-12-19(23-14-18)21(29)27-9-10-30-15-27/h2-4,11,13,18-19,23H,5-10,12,14-15H2,1H3/t18-,19-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50388126
PNG
(CHEMBL2058757)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccccc2s1)N1CCSC1
Show InChI InChI=1S/C19H25N5OS2/c25-18(24-9-10-26-13-24)16-11-14(12-20-16)22-5-7-23(8-6-22)19-21-15-3-1-2-4-17(15)27-19/h1-4,14,16,20H,5-13H2/t14-,16-/m0/s1
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n/an/a 0.770n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388114
PNG
(CHEMBL2058974)
Show SMILES Clc1cnc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc12
Show InChI InChI=1S/C21H26ClN5OS/c22-18-13-24-20(17-4-2-1-3-16(17)18)26-7-5-25(6-8-26)15-11-19(23-12-15)21(28)27-9-10-29-14-27/h1-4,13,15,19,23H,5-12,14H2/t15-,19-/m0/s1
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n/an/a 0.790n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388113
PNG
(CHEMBL2058973)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nccc2ccccc12)N1CCSC1
Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-17(14-23-19)24-7-9-25(10-8-24)20-18-4-2-1-3-16(18)5-6-22-20/h1-6,17,19,23H,7-15H2/t17-,19-/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388117
PNG
(CHEMBL2058969)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1
Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388117
PNG
(CHEMBL2058969)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccnc2ccccc12)N1CCSC1
Show InChI InChI=1S/C21H27N5OS/c27-21(26-11-12-28-15-26)19-13-16(14-23-19)24-7-9-25(10-8-24)20-5-6-22-18-4-2-1-3-17(18)20/h1-6,16,19,23H,7-15H2/t16-,19-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50388122
PNG
(CHEMBL2058761)
Show SMILES Clc1ccc2nc([nH]c2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C19H25ClN6OS/c20-13-1-2-15-16(9-13)23-19(22-15)25-5-3-24(4-6-25)14-10-17(21-11-14)18(27)26-7-8-28-12-26/h1-2,9,14,17,21H,3-8,10-12H2,(H,22,23)/t14-,17-/m0/s1
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n/an/a 1.03n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50206043
PNG
(((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)...)
Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C17H24N6O3S/c24-17(22-7-8-27-12-22)15-9-14(11-18-15)20-3-5-21(6-4-20)16-2-1-13(10-19-16)23(25)26/h1-2,10,14-15,18H,3-9,11-12H2/t14-,15-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50206043
PNG
(((2S,4S)-4-(4-(5-nitropyridin-2-yl)piperazin-1-yl)...)
Show SMILES [O-][N+](=O)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C17H24N6O3S/c24-17(22-7-8-27-12-22)15-9-14(11-18-15)20-3-5-21(6-4-20)16-2-1-13(10-19-16)23(25)26/h1-2,10,14-15,18H,3-9,11-12H2/t14-,15-/m0/s1
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Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50166312
PNG
(1-[(3S,5S)-5-((S)-2-Cyano-pyrrolidine-1-carbonyl)-...)
Show SMILES O=C(N[C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)Nc1ccccc1
Show InChI InChI=1S/C17H21N5O2/c18-10-14-7-4-8-22(14)16(23)15-9-13(11-19-15)21-17(24)20-12-5-2-1-3-6-12/h1-3,5-6,13-15,19H,4,7-9,11H2,(H2,20,21,24)/t13-,14-,15-/m0/s1
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Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50388121
PNG
(CHEMBL2058760)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccccc2[nH]1)N1CCSC1
Show InChI InChI=1S/C19H26N6OS/c26-18(25-9-10-27-13-25)17-11-14(12-20-17)23-5-7-24(8-6-23)19-21-15-3-1-2-4-16(15)22-19/h1-4,14,17,20H,5-13H2,(H,21,22)/t14-,17-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50206047
PNG
(2-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccc1C#N)N1CCSC1
Show InChI InChI=1S/C18H24N6OS/c19-11-14-2-1-3-20-17(14)23-6-4-22(5-7-23)15-10-16(21-12-15)18(25)24-8-9-26-13-24/h1-3,15-16,21H,4-10,12-13H2/t15-,16-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50388120
PNG
(CHEMBL2058759)
Show SMILES FC(F)(F)c1ccc2c(ccnc2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C22H26F3N5OS/c23-22(24,25)15-1-2-17-18(11-15)26-4-3-20(17)29-7-5-28(6-8-29)16-12-19(27-13-16)21(31)30-9-10-32-14-30/h1-4,11,16,19,27H,5-10,12-14H2/t16-,19-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50206058
PNG
(6-(4-((3S,5S)-5-(thiazolidine-3-carbonyl)pyrrolidi...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ccc(cn1)C#N)N1CCSC1
Show InChI InChI=1S/C18H24N6OS/c19-10-14-1-2-17(21-11-14)23-5-3-22(4-6-23)15-9-16(20-12-15)18(25)24-7-8-26-13-24/h1-2,11,15-16,20H,3-9,12-13H2/t15-,16-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


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


(Rattus norvegicus (rat))
BDBM50388118
PNG
(CHEMBL2058970)
Show SMILES Cc1cc(N2CCN(CC2)[C@@H]2CN[C@@H](C2)C(=O)N2CCSC2)c2ccccc2n1
Show InChI InChI=1S/C22H29N5OS/c1-16-12-21(18-4-2-3-5-19(18)24-16)26-8-6-25(7-9-26)17-13-20(23-14-17)22(28)27-10-11-29-15-27/h2-5,12,17,20,23H,6-11,13-15H2,1H3/t17-,20-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50388124
PNG
(CHEMBL2058967)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccccc2o1)N1CCSC1
Show InChI InChI=1S/C19H25N5O2S/c25-18(24-9-10-27-13-24)16-11-14(12-20-16)22-5-7-23(8-6-22)19-21-15-3-1-2-4-17(15)26-19/h1-4,14,16,20H,5-13H2/t14-,16-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


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


(Rattus norvegicus (rat))
BDBM50166306
PNG
((S)-1-((2S,4S)-4-Phenethylamino-pyrrolidine-2-carb...)
Show SMILES O=C([C@@H]1C[C@@H](CN1)NCCc1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H24N4O/c19-12-16-7-4-10-22(16)18(23)17-11-15(13-21-17)20-9-8-14-5-2-1-3-6-14/h1-3,5-6,15-17,20-21H,4,7-11,13H2/t15-,16-,17-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl-peptidase IV


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


(Rattus norvegicus (rat))
BDBM50206037
PNG
(CHEMBL241252 | thiazolidin-3-yl((2S,4S)-4-(4-(5-(t...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1
Show InChI InChI=1S/C18H24F3N5OS/c19-18(20,21)13-1-2-16(23-10-13)25-5-3-24(4-6-25)14-9-15(22-11-14)17(27)26-7-8-28-12-26/h1-2,10,14-15,22H,3-9,11-12H2/t14-,15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Mitsubishi Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
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