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Patent code US8697868

Compile Data Set for Download or QSAR
Found 10 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))		BDBM120073
PNG
(US8697868, 1(30) | US8697868, 30)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nccc(n3)-c3ccccc3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H36N8O4/c1-6-7-18-38-25-26(35-28(38)37-17-11-14-22(19-37)33-29(41)43-31(2,3)4)36(5)30(42)39(27(25)40)20-24-32-16-15-23(34-24)21-12-9-8-10-13-21/h8-10,12-13,15-16,22H,11,14,17-20H2,1-5H3,(H,33,41)/t22-/m1/s1
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n/an/a 2n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120071
PNG
(US8697868, 1(21) | US8697868, 21)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3Br)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H33BrN6O5/c1-6-7-15-34-22-23(31-25(34)33-14-10-11-18(16-33)30-26(38)40-28(2,3)4)32(5)27(39)35(24(22)37)17-21(36)19-12-8-9-13-20(19)29/h8-9,12-13,18H,10-11,14-17H2,1-5H3,(H,30,38)/t18-/m1/s1
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n/an/a 2n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120070
PNG
(US8697868, 1(12) | US8697868, 12)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3ccc4nc(C)c(C)nc4c3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H38N8O4/c1-8-9-15-38-25-26(35-28(38)37-14-10-11-22(18-37)34-29(41)43-31(4,5)6)36(7)30(42)39(27(25)40)17-21-12-13-23-24(16-21)33-20(3)19(2)32-23/h12-13,16,22H,10-11,14-15,17-18H2,1-7H3,(H,34,41)/t22-/m1/s1
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n/an/a 2n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120068
PNG
(US8697868, 1(6) | US8697868, 6)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(C#N)c4ccccc4n3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H34N8O4/c1-6-7-15-38-25-26(35-28(38)37-14-10-11-21(18-37)34-29(41)43-31(2,3)4)36(5)30(42)39(27(25)40)19-22-16-20(17-32)23-12-8-9-13-24(23)33-22/h8-9,12-13,16,21H,10-11,14-15,18-19H2,1-5H3,(H,34,41)/t21-/m1/s1
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n/an/a 2n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120072
PNG
(US8697868, 1(26) | US8697868, 26)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc4ccccc4c(C)c3C#N)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H36N8O4/c1-7-8-16-39-26-27(36-29(39)38-15-11-12-21(18-38)34-30(42)44-32(3,4)5)37(6)31(43)40(28(26)41)19-25-23(17-33)20(2)22-13-9-10-14-24(22)35-25/h9-10,13-14,21H,11-12,15-16,18-19H2,1-6H3,(H,34,42)/t21-/m1/s1
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n/an/a 2n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120074
PNG
(US8697868, 1(31) | US8697868, 31)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3[N+]([O-])=O)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C28H33N7O7/c1-6-7-15-33-22-23(30-25(33)32-14-10-11-18(16-32)29-26(38)42-28(2,3)4)31(5)27(39)34(24(22)37)17-21(36)19-12-8-9-13-20(19)35(40)41/h8-9,12-13,18H,10-11,14-17H2,1-5H3,(H,29,38)/t18-/m1/s1
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n/an/a 3n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120069
PNG
(US8697868, 1(7) | US8697868, 7)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3cccc(OC4CC4)c3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C31H38N6O6/c1-6-7-16-36-25-26(33-28(36)35-15-9-11-21(18-35)32-29(40)43-31(2,3)4)34(5)30(41)37(27(25)39)19-24(38)20-10-8-12-23(17-20)42-22-13-14-22/h8,10,12,17,21-22H,9,11,13-16,18-19H2,1-5H3,(H,32,40)/t21-/m1/s1
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n/an/a 5n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120066
PNG
(US8697868, 1(3) | US8697868, 3)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3cc(cc4ccccc34)C#N)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C32H35N7O4/c1-6-7-15-38-26-27(35-29(38)37-14-10-12-24(20-37)34-30(41)43-32(2,3)4)36(5)31(42)39(28(26)40)19-23-17-21(18-33)16-22-11-8-9-13-25(22)23/h8-9,11,13,16-17,24H,10,12,14-15,19-20H2,1-5H3,(H,34,41)/t24-/m1/s1
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n/an/a 6n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120065
PNG
(US8697868, 1)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(NCc4ccccc4)c4ccccc4n3)c(=O)c12)N1CCCC(C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C36H41N9O4/c1-6-7-20-44-29-31(41-33(44)43-19-13-16-25(22-43)38-34(47)49-36(2,3)4)42(5)35(48)45(32(29)46)23-28-39-27-18-12-11-17-26(27)30(40-28)37-21-24-14-9-8-10-15-24/h8-12,14-15,17-18,25H,13,16,19-23H2,1-5H3,(H,38,47)(H,37,39,40)
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n/an/a 6n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM120067
PNG
(US8697868, 1(4) | US8697868, 4)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(nc4ccccc34)-c3ccccc3)c(=O)c12)N1CCC[C@H](C1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C35H38N8O4/c1-6-7-20-42-28-30(39-32(42)41-19-13-16-24(21-41)36-33(45)47-35(2,3)4)40(5)34(46)43(31(28)44)22-27-25-17-11-12-18-26(25)37-29(38-27)23-14-9-8-10-15-23/h8-12,14-15,17-18,24H,13,16,19-22H2,1-5H3,(H,36,45)/t24-/m1/s1
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n/an/a 9n/an/an/an/a7.8n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
50 μl of substrate solution (AFC; AFC is amido-4-trifluoromethylcoumarin), final concentration 100 μM, was placed in black microtitre plate...

US Patent US8697868 (2014)


BindingDB Entry DOI: 10.7270/Q2XD10CF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%