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USPatent US8716482

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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 4


(Homo sapiens (Human))		BDBM120806
PNG
(US8716482, 9)
Show SMILES C[C@H](F)CN1C[C@@H](C[C@H](N)C1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C20H26F3N5O2S/c1-12(21)7-27-10-15(6-18(24)20(27)16-5-14(22)3-4-17(16)23)26-8-13-9-28(31(2,29)30)25-19(13)11-26/h3-5,9,12,15,18,20H,6-8,10-11,24H2,1-2H3/t12-,15+,18-,20?/m0/s1
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n/an/a 0.400n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120799
PNG
(US8716482, 2)
Show SMILES N[C@H]1C[C@H](CNC1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C19H22F3N5O2S/c20-14-5-16(22)15(21)4-13(14)19-17(23)3-11(6-24-19)26-7-10-8-27(25-18(10)9-26)30(28,29)12-1-2-12/h4-5,8,11-12,17,19,24H,1-3,6-7,9,23H2/t11-,17+,19?/m1/s1
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n/an/a 0.700n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120802
PNG
(US8716482, 5)
Show SMILES CN1C[C@@H](C[C@H](N)C1c1cc(F)c(F)cc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H22F3N5O2S/c1-24-8-11(25-6-10-7-26(29(2,27)28)23-17(10)9-25)3-16(22)18(24)12-4-14(20)15(21)5-13(12)19/h4-5,7,11,16,18H,3,6,8-9,22H2,1-2H3/t11-,16+,18?/m1/s1
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n/an/a 0.900n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120801
PNG
(US8716482, 4)
Show SMILES N[C@H]1C[C@H](CN(CC(=O)N2CC[C@@H](F)C2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|
Show InChI InChI=1S/C22H27F3N6O/c23-14-1-2-18(25)17(5-14)22-19(26)6-16(30-8-13-7-27-28-20(13)11-30)10-31(22)12-21(32)29-4-3-15(24)9-29/h1-2,5,7,15-16,19,22H,3-4,6,8-12,26H2,(H,27,28)/t15-,16-,19+,22?/m1/s1
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n/an/a 1n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120805
PNG
(US8716482, 8)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(CC2CC2)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H27F2N5O2S/c1-31(29,30)28-10-14-9-26(12-20(14)25-28)16-7-19(24)21(27(11-16)8-13-2-3-13)17-6-15(22)4-5-18(17)23/h4-6,10,13,16,19,21H,2-3,7-9,11-12,24H2,1H3/t16-,19+,21?/m1/s1
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n/an/a 1.60n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120804
PNG
(US8716482, 7)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(CCO)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H25F2N5O3S/c1-30(28,29)26-9-12-8-25(11-18(12)23-26)14-7-17(22)19(24(10-14)4-5-27)15-6-13(20)2-3-16(15)21/h2-3,6,9,14,17,19,27H,4-5,7-8,10-11,22H2,1H3/t14-,17+,19?/m1/s1
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n/an/a 1.70n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120811
PNG
(US8716482, 14)
Show SMILES N[C@H]1C[C@H](CN(Cc2cn[nH]c2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|
Show InChI InChI=1S/C20H23F2N7/c21-14-1-2-17(22)16(3-14)20-18(23)4-15(10-29(20)8-12-5-24-25-6-12)28-9-13-7-26-27-19(13)11-28/h1-3,5-7,15,18,20H,4,8-11,23H2,(H,24,25)(H,26,27)/t15-,18+,20?/m1/s1
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n/an/a 2.90n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120810
PNG
(US8716482, 13)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(Cc2cncnc2)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C22H25F2N7O2S/c1-34(32,33)31-10-15-9-29(12-21(15)28-31)17-5-20(25)22(18-4-16(23)2-3-19(18)24)30(11-17)8-14-6-26-13-27-7-14/h2-4,6-7,10,13,17,20,22H,5,8-9,11-12,25H2,1H3/t17-,20+,22?/m1/s1
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n/an/a 3n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120813
PNG
(US8716482, 16)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1C[C@H](N)C(N(Cc2cn[nH]c2)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C21H25F2N7O2S/c1-33(31,32)30-10-14-9-28(12-20(14)27-30)16-5-19(24)21(17-4-15(22)2-3-18(17)23)29(11-16)8-13-6-25-26-7-13/h2-4,6-7,10,16,19,21H,5,8-9,11-12,24H2,1H3,(H,25,26)/t16-,19-,21?/m0/s1
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n/an/a 3.90n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120800
PNG
(US8716482, 3)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(CC(N)=O)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H24F2N6O3S/c1-31(29,30)27-7-11-6-25(9-17(11)24-27)13-5-16(22)19(26(8-13)10-18(23)28)14-4-12(20)2-3-15(14)21/h2-4,7,13,16,19H,5-6,8-10,22H2,1H3,(H2,23,28)/t13-,16+,19?/m1/s1
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n/an/a 4.30n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120798
PNG
(US8716482, 1)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CNC([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H21F2N5O2S/c1-27(25,26)24-8-10-7-23(9-16(10)22-24)12-5-15(20)17(21-6-12)13-4-11(18)2-3-14(13)19/h2-4,8,12,15,17,21H,5-7,9,20H2,1H3/t12-,15+,17?/m1/s1
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n/an/a 6.80n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120808
PNG
(US8716482, 11)
Show SMILES Cn1cc(CCN2C[C@@H](C[C@H](N)C2c2cc(F)ccc2F)N2Cc3cn[nH]c3C2)cn1 |r|
Show InChI InChI=1S/C22H27F2N7/c1-29-10-14(8-27-29)4-5-30-12-17(31-11-15-9-26-28-21(15)13-31)7-20(25)22(30)18-6-16(23)2-3-19(18)24/h2-3,6,8-10,17,20,22H,4-5,7,11-13,25H2,1H3,(H,26,28)/t17-,20+,22?/m1/s1
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n/an/a 7.10n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120809
PNG
(US8716482, 12)
Show SMILES N[C@H]1C[C@H](CN(Cc2cnccn2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|
Show InChI InChI=1S/C21H23F2N7/c22-14-1-2-18(23)17(5-14)21-19(24)6-16(29-9-13-7-27-28-20(13)12-29)11-30(21)10-15-8-25-3-4-26-15/h1-5,7-8,16,19,21H,6,9-12,24H2,(H,27,28)/t16-,19+,21?/m1/s1
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n/an/a 12.9n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120803
PNG
(US8716482, 6)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@@H]1C[C@H](N)C(N(C1)C(=O)C(F)(F)F)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C19H20F5N5O3S/c1-33(31,32)29-7-10-6-27(9-16(10)26-29)12-5-15(25)17(13-4-11(20)2-3-14(13)21)28(8-12)18(30)19(22,23)24/h2-4,7,12,15,17H,5-6,8-9,25H2,1H3/t12-,15+,17?/m1/s1
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n/an/a 14.5n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120814
PNG
(US8716482, 17)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1C[C@H](N)C(N(Cc2cncc3cccnc23)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C26H27F2N7O2S/c1-38(36,37)35-13-18-12-33(15-24(18)32-35)20-8-23(29)26(21-7-19(27)4-5-22(21)28)34(14-20)11-17-10-30-9-16-3-2-6-31-25(16)17/h2-7,9-10,13,20,23,26H,8,11-12,14-15,29H2,1H3/t20-,23-,26?/m0/s1
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n/an/a 24.6n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120807
PNG
(US8716482, 10)
Show SMILES N[C@H]1C[C@H](CN(CCN2CCC(F)(F)C2)C1c1cc(F)ccc1F)N1Cc2cn[nH]c2C1 |r|
Show InChI InChI=1S/C22H28F4N6/c23-15-1-2-18(24)17(7-15)21-19(27)8-16(32-10-14-9-28-29-20(14)12-32)11-31(21)6-5-30-4-3-22(25,26)13-30/h1-2,7,9,16,19,21H,3-6,8,10-13,27H2,(H,28,29)/t16-,19+,21?/m1/s1
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n/an/a 25.4n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120812
PNG
(US8716482, 15)
Show SMILES CS(=O)(=O)N1C[C@H](C[C@H](N)C1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C18H23F2N5O4S2/c1-30(26,27)24-9-13(6-16(21)18(24)14-5-12(19)3-4-15(14)20)23-7-11-8-25(31(2,28)29)22-17(11)10-23/h3-5,8,13,16,18H,6-7,9-10,21H2,1-2H3/t13-,16-,18?/m0/s1
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n/an/a 53.3n/an/an/an/a7.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...

US Patent US8716482 (2014)


BindingDB Entry DOI: 10.7270/Q2G73CC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%