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Patent code US8853212

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))		BDBM136294
PNG
(US8853212, DDP-4 Inhibitor 10)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2n[nH]c(C(N)=O)c2C1 |r|
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MMDB

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n/an/a 0.170n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136295
PNG
(US8853212, DDP-4 Inhibitor 11)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2n[nH]c(C#N)c2C1 |r|
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n/an/a 0.460n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136291
PNG
(US8853212, DDP-4 Inhibitor 7)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C17H19F3N4O2S2/c1-28(25,26)24-6-9-5-23(7-15(9)22-24)11-4-14(21)17(27-8-11)12-2-10(18)3-13(19)16(12)20/h2-3,6,11,14,17H,4-5,7-8,21H2,1H3/t11-,14+,17?/m1/s1
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n/an/a 0.5n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136293
PNG
(US8853212, DDP-4 Inhibitor 9)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H20F2N4O2S2/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 0.600n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136297
PNG
(US8853212, DDP-4 Inhibitor 13)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2cnc(nc2C1)C(F)(F)F |r|
Show InChI InChI=1S/C18H17F5N4S/c19-10-1-2-13(20)12(3-10)16-14(24)4-11(8-28-16)27-6-9-5-25-17(18(21,22)23)26-15(9)7-27/h1-3,5,11,14,16H,4,6-8,24H2/t11-,14+,16?/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136298
PNG
(US8853212, DDP-4 Inhibitor 14)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2nc([nH]c2C1)-c1ccccc1 |r|
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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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136296
PNG
(US8853212, DDP-4 Inhibitor 12)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2nc([nH]c2C1)C(F)(F)F |r|
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n/an/a 1.10n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136300
PNG
(US8853212, DDP-4 Inhibitor 16)
Show SMILES Cc1nc2CN(Cc2[nH]1)[C@H]1CSC([C@@H](N)C1)c1cc(F)ccc1F |r|
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n/an/a 1.5n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136292
PNG
(US8853212, DDP-4 Inhibitor 8)
Show SMILES CC(C)(F)Cn1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C20H24F4N4S/c1-20(2,24)10-28-7-11-6-27(8-17(11)26-28)13-5-16(25)19(29-9-13)14-3-12(21)4-15(22)18(14)23/h3-4,7,13,16,19H,5-6,8-10,25H2,1-2H3/t13-,16+,19?/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136299
PNG
(US8853212, DDP-4 Inhibitor 15)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)cc(F)c1F)N1Cc2cn(CC(N)=O)nc2C1 |r|
Show InChI InChI=1S/C18H20F3N5OS/c19-10-1-12(17(21)13(20)2-10)18-14(22)3-11(8-28-18)25-4-9-5-26(7-16(23)27)24-15(9)6-25/h1-2,5,11,14,18H,3-4,6-8,22H2,(H2,23,27)/t11-,14+,18?/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136285
PNG
(US8853212, DDP-4 Inhibitor 1)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)ccc1F)N1Cc2c[nH]nc2C1 |r|
PDB
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n/an/a 2.30n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136290
PNG
(US8853212, DDP-4 Inhibitor 6)
Show SMILES CC(C)(O)Cn1cc2CN(Cc2n1)[C@H]1CSC([C@@H](N)C1)c1cc(F)cc(F)c1F |r|
Show InChI InChI=1S/C20H25F3N4OS/c1-20(2,28)10-27-7-11-6-26(8-17(11)25-27)13-5-16(24)19(29-9-13)14-3-12(21)4-15(22)18(14)23/h3-4,7,13,16,19,28H,5-6,8-10,24H2,1-2H3/t13-,16+,19?/m1/s1
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n/an/a 2.60n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136286
PNG
(US8853212, DDP-4 Inhibitor 2)
Show SMILES N[C@H]1C[C@H](CSC1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|
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n/an/a 3.40n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136301
PNG
(US8853212, DDP-4 Inhibitor 17)
Show SMILES Cc1nc2CN(Cc2o1)[C@H]1CSC([C@@H](N)C1)c1cc(F)ccc1F |r|
Show InChI InChI=1S/C17H19F2N3OS/c1-9-21-15-6-22(7-16(15)23-9)11-5-14(20)17(24-8-11)12-4-10(18)2-3-13(12)19/h2-4,11,14,17H,5-8,20H2,1H3/t11-,14+,17?/m1/s1
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n/an/a 8.10n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136287
PNG
(US8853212, DDP-4 Inhibitor 3 | US8853212, DDP-4 I...)
Show SMILES N[C@H]1C[C@H](CS(=O)C1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|
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n/an/a 40n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136287
PNG
(US8853212, DDP-4 Inhibitor 3 | US8853212, DDP-4 I...)
Show SMILES N[C@H]1C[C@H](CS(=O)C1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|
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n/an/a 49n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM136289
PNG
(US8853212, DDP-4 Inhibitor 5)
Show SMILES N[C@H]1C[C@H](CS(=O)(=O)C1c1cc(F)cc(F)c1F)N1Cc2c[nH]nc2C1 |r|
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n/an/a 119n/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 US8853212 (2014)


BindingDB Entry DOI: 10.7270/Q2C53JK4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%