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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase IV' AND taxid = 10090   
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


(Mus musculus)
BDBM50276520
PNG
((2R,4R)-4-fluoro-1-(2-(4-methyl-1-(methylsulfonyl)...)
Show SMILES CC1(CCN(CC1)S(C)(=O)=O)NCC(=O)N1C[C@H](F)C[C@@H]1C#N
Show InChI InChI=1S/C14H23FN4O3S/c1-14(3-5-18(6-4-14)23(2,21)22)17-9-13(20)19-10-11(15)7-12(19)8-16/h11-12,17H,3-7,9-10H2,1-2H3/t11-,12-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4


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


(Mus musculus)
BDBM50210527
PNG
((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydroimida...)
Show SMILES N[C@H]1C[C@H](CCC1c1cc(F)c(F)cc1F)N1CCn2c(C1)ncc2C(F)(F)F
Show InChI InChI=1S/C19H20F6N4/c20-13-7-15(22)14(21)6-12(13)11-2-1-10(5-16(11)26)28-3-4-29-17(19(23,24)25)8-27-18(29)9-28/h6-8,10-11,16H,1-5,9,26H2/t10-,11?,16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4


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


(Mus musculus)
BDBM50232502
PNG
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4 at 1 mg/kg


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


(Mus musculus)
BDBM50003020
PNG
(MK-3102 | OMARIGLIPTIN)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CO[C@@H]([C@@H](N)C1)c1cc(F)ccc1F
Show InChI InChI=1S/C17H20F2N4O3S/c1-27(24,25)23-7-10-6-22(8-16(10)21-23)12-5-15(20)17(26-9-12)13-4-11(18)2-3-14(13)19/h2-4,7,12,15,17H,5-6,8-9,20H2,1H3/t12-,15+,17-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in mouse plasma


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


(Mus musculus)
BDBM50296490
PNG
((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...)
Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21
Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Merck& Co. Inc.

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6N mouse DPP4


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


(Mus musculus)
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4 at 3 mg/kg


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


(Mus musculus)
BDBM50390183
PNG
(CHEMBL2069830)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)c1ccc(F)cc1F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H20F5N3O/c21-13-1-2-19(18(25)9-13)27-3-5-28(6-4-27)20(29)10-14(26)7-12-8-16(23)17(24)11-15(12)22/h1-2,8-9,11,14H,3-7,10,26H2/t14-/m1/s1
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n/an/a 94.4n/an/an/an/an/an/a



Dong-A Pharm. Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse DPP4


Citation and Details
More data for this
Ligand-Target Pair