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Patent code US8691832

Compile Data Set for Download or QSAR
Found 20 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))		BDBM119782
PNG
(US8691832, 1)
Show SMILES CC#CCn1c(nc2N3CCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|
Show InChI InChI=1S/C26H29N9O/c1-3-4-13-33-22-23(31-26(33)32-12-7-8-18(27)15-32)34-14-11-28-25(34)35(24(22)36)16-21-29-17(2)19-9-5-6-10-20(19)30-21/h5-6,9-10,18H,7-8,11-16,27H2,1-2H3/t18-/m1/s1
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US Patent
n/an/a 0.380n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119801
PNG
(US8691832, 20)
Show SMILES CC#CCn1c(nc2N3C[C@H](C)N=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|
Show InChI InChI=1S/C27H31N9O/c1-4-5-13-34-23-24(32-26(34)33-12-8-9-19(28)15-33)35-14-17(2)29-27(35)36(25(23)37)16-22-30-18(3)20-10-6-7-11-21(20)31-22/h6-7,10-11,17,19H,8-9,12-16,28H2,1-3H3/t17-,19+/m0/s1
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n/an/a 1n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119786
PNG
(US8691832, 5)
Show SMILES CC#CCn1c(nc2N3CCCN=C3N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|
Show InChI InChI=1S/C27H31N9O/c1-3-4-14-34-23-24(32-27(34)33-13-7-9-19(28)16-33)35-15-8-12-29-26(35)36(25(23)37)17-22-30-18(2)20-10-5-6-11-21(20)31-22/h5-6,10-11,19H,7-9,12-17,28H2,1-2H3/t19-/m1/s1
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n/an/a 1.30n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119788
PNG
(US8691832, 7)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2-[#7]-3-[#6]-[#6]-[#7]=[#6]-3-[#7](-[#6]-c3nc(-[#6])c4ccccc4n3)-[#6](=O)-c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1 |r,c:12|
Show InChI InChI=1S/C27H33N9O/c1-17(2)10-13-34-23-24(32-27(34)33-12-6-7-19(28)15-33)35-14-11-29-26(35)36(25(23)37)16-22-30-18(3)20-8-4-5-9-21(20)31-22/h4-5,8-10,19H,6-7,11-16,28H2,1-3H3/t19-/m1/s1
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n/an/a 1.60n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119791
PNG
(US8691832, 10)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC4CC4)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C26H31N9O/c1-16-19-6-2-3-7-20(19)30-21(29-16)15-35-24(36)22-23(33-12-10-28-25(33)35)31-26(34(22)13-17-8-9-17)32-11-4-5-18(27)14-32/h2-3,6-7,17-18H,4-5,8-15,27H2,1H3/t18-/m1/s1
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n/an/a 8n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119796
PNG
(US8691832, 15)
Show SMILES CC#CCn1c(nc2N3CCN=C3N(Cc3ccccc3C#N)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|
Show InChI InChI=1S/C24H26N8O/c1-2-3-12-30-20-21(28-24(30)29-11-6-9-19(26)16-29)31-13-10-27-23(31)32(22(20)33)15-18-8-5-4-7-17(18)14-25/h4-5,7-8,19H,6,9-13,15-16,26H2,1H3/t19-/m1/s1
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n/an/a 9n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119783
PNG
(US8691832, 2)
Show SMILES CC#CCn1c(nc2N3CCN=C3N(Cc3ccc(cc3)[N+]#[C-])C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|
Show InChI InChI=1S/C24H26N8O/c1-3-4-13-30-20-21(28-24(30)29-12-5-6-18(25)16-29)31-14-11-27-23(31)32(22(20)33)15-17-7-9-19(26-2)10-8-17/h7-10,18H,5-6,11-16,25H2,1H3/t18-/m1/s1
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n/an/a 10n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119795
PNG
(US8691832, 14)
Show SMILES CC#CCn1c(nc2N3CCN=C3N(Cc3nccc(n3)C#N)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:11|
Show InChI InChI=1S/C22H24N10O/c1-2-3-10-30-18-19(28-22(30)29-9-4-5-15(24)13-29)31-11-8-26-21(31)32(20(18)33)14-17-25-7-6-16(12-23)27-17/h6-7,15H,4-5,8-11,13-14,24H2,1H3/t15-/m1/s1
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n/an/a 11n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119798
PNG
(US8691832, 17)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC4CC4(F)F)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C26H29F2N9O/c1-15-18-6-2-3-7-19(18)32-20(31-15)14-37-23(38)21-22(35-10-8-30-24(35)37)33-25(34-9-4-5-17(29)13-34)36(21)12-16-11-26(16,27)28/h2-3,6-7,16-17H,4-5,8-14,29H2,1H3/t16?,17-/m1/s1
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n/an/a 14n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119789
PNG
(US8691832, 8)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4cccc(F)c4)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C29H30FN9O/c1-18-22-9-2-3-10-23(22)34-24(33-18)17-39-27(40)25-26(37-13-11-32-28(37)39)35-29(36-12-5-8-21(31)16-36)38(25)15-19-6-4-7-20(30)14-19/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17,31H2,1H3/t21-/m1/s1
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n/an/a 19n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119797
PNG
(US8691832, 16)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4sccc4F)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C27H28FN9OS/c1-16-18-6-2-3-7-20(18)32-22(31-16)15-37-25(38)23-24(35-11-9-30-26(35)37)33-27(34-10-4-5-17(29)13-34)36(23)14-21-19(28)8-12-39-21/h2-3,6-8,12,17H,4-5,9-11,13-15,29H2,1H3/t17-/m1/s1
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n/an/a 29n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119799
PNG
(US8691832, 18)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(CC4CCC4)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C27H33N9O/c1-17-20-9-2-3-10-21(20)31-22(30-17)16-36-25(37)23-24(34-13-11-29-26(34)36)32-27(33-12-5-8-19(28)15-33)35(23)14-18-6-4-7-18/h2-3,9-10,18-19H,4-8,11-16,28H2,1H3/t19-/m1/s1
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n/an/a 29n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119790
PNG
(US8691832, 9)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C29H31N9O/c1-19-22-11-5-6-12-23(22)33-24(32-19)18-38-27(39)25-26(36-15-13-31-28(36)38)34-29(35-14-7-10-21(30)17-35)37(25)16-20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-18,30H2,1H3/t21-/m1/s1
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n/an/a 32n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119792
PNG
(US8691832, 11)
Show SMILES COc1ccc(CN2C(=O)c3c(nc(N4CCC[C@@H](N)C4)n3CC#CC)N3CCCN=C23)cc1 |r,t:32|
Show InChI InChI=1S/C25H31N7O2/c1-3-4-14-30-21-22(28-25(30)29-13-5-7-19(26)17-29)31-15-6-12-27-24(31)32(23(21)33)16-18-8-10-20(34-2)11-9-18/h8-11,19H,5-7,12-17,26H2,1-2H3/t19-/m1/s1
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n/an/a 39n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119784
PNG
(US8691832, 3)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4cc(F)ccc4F)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C29H29F2N9O/c1-17-21-6-2-3-7-23(21)35-24(34-17)16-40-27(41)25-26(38-12-10-33-28(38)40)36-29(37-11-4-5-20(32)15-37)39(25)14-18-13-19(30)8-9-22(18)31/h2-3,6-9,13,20H,4-5,10-12,14-16,32H2,1H3/t20-/m1/s1
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n/an/a 43n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119794
PNG
(US8691832, 13)
Show SMILES CC#CCn1c(nc2N3CCCN=C3N(Cc3cccc4ccccc34)C(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|
Show InChI InChI=1S/C28H31N7O/c1-2-3-16-33-24-25(31-28(33)32-15-7-12-22(29)19-32)34-17-8-14-30-27(34)35(26(24)36)18-21-11-6-10-20-9-4-5-13-23(20)21/h4-6,9-11,13,22H,7-8,12,14-19,29H2,1H3/t22-/m1/s1
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n/an/a 44n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119800
PNG
(US8691832, 19)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(Cc4ccccc4C#N)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C30H30N10O/c1-19-23-10-4-5-11-24(23)35-25(34-19)18-40-28(41)26-27(38-14-12-33-29(38)40)36-30(37-13-6-9-22(32)17-37)39(26)16-21-8-3-2-7-20(21)15-31/h2-5,7-8,10-11,22H,6,9,12-14,16-18,32H2,1H3/t22-/m1/s1
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n/an/a 82n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119785
PNG
(US8691832, 4)
Show SMILES Cc1nc(CN2C(=O)c3c(nc(N4CCC[C@@H](N)C4)n3Cc3cc(F)ccc3C#N)N3CCCN=C23)nc2ccccc12 |r,t:37|
Show InChI InChI=1S/C31H31FN10O/c1-19-24-7-2-3-8-25(24)37-26(36-19)18-42-29(43)27-28(40-13-5-11-35-30(40)42)38-31(39-12-4-6-23(34)17-39)41(27)16-21-14-22(32)10-9-20(21)15-33/h2-3,7-10,14,23H,4-6,11-13,16-18,34H2,1H3/t23-/m1/s1
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US Patent
n/an/a 99n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119787
PNG
(US8691832, 6)
Show SMILES Cc1nc(CN2C3=NCCN3c3nc(N4CCC[C@@H](N)C4)n(C)c3C2=O)nc2ccccc12 |r,t:6|
Show InChI InChI=1S/C23H27N9O/c1-14-16-7-3-4-8-17(16)27-18(26-14)13-32-21(33)19-20(31-11-9-25-22(31)32)28-23(29(19)2)30-10-5-6-15(24)12-30/h3-4,7-8,15H,5-6,9-13,24H2,1-2H3/t15-/m1/s1
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n/an/a 539n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM119793
PNG
(US8691832, 12)
Show SMILES CC#CCn1c(nc2N3CCCN=C3NC(=O)c12)N1CCC[C@@H](N)C1 |r,c:12|
Show InChI InChI=1S/C17H23N7O/c1-2-3-9-23-13-14(20-17(23)22-8-4-6-12(18)11-22)24-10-5-7-19-16(24)21-15(13)25/h12H,4-11,18H2,1H3,(H,19,21,25)/t12-/m1/s1
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n/an/a 6.11E+3n/an/an/an/a7.537



Merck Sharp & Dohme Corp.

US Patent


Assay Description
DPP4 activity was measured using a continuous fluorometric assay. The substrate, Gly-Pro-AMC, was cleaved by DPP4 to release the fluorescent AMC grou...

US Patent US8691832 (2014)


BindingDB Entry DOI: 10.7270/Q2QV3K6M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%