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Patent code US8785477

Compile Data Set for Download or QSAR
Found 9 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


(Rattus norvegicus (rat))		BDBM126820
PNG
(US8785477, 26)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H26F3N3O4S/c1-35(33,34)18-4-2-3-14(8-18)24(32)29-12-15-5-6-30(22(15)13-29)23(31)10-17(28)7-16-9-20(26)21(27)11-19(16)25/h2-4,8-9,11,15,17,22H,5-7,10,12-13,28H2,1H3
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US Patent
n/an/a 2.61n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126816
PNG
(US8785477, 8)
Show SMILES CC(C)(F)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H25F4N3O2/c1-20(2,24)19(29)26-9-11-3-4-27(17(11)10-26)18(28)7-13(25)5-12-6-15(22)16(23)8-14(12)21/h6,8,11,13,17H,3-5,7,9-10,25H2,1-2H3
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n/an/a 11.2n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126818
PNG
(US8785477, 17)
Show SMILES NC(CC(=O)N1CCC2CN(CC12)C(=O)C1(CC1)C#N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H23F3N4O2/c22-15-8-17(24)16(23)6-13(15)5-14(26)7-19(29)28-4-1-12-9-27(10-18(12)28)20(30)21(11-25)2-3-21/h6,8,12,14,18H,1-5,7,9-10,26H2
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n/an/a 11.5n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126815
PNG
(US8785477, 3)
Show SMILES CN(C)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H25F3N4O2/c1-24(2)19(28)25-9-11-3-4-26(17(11)10-25)18(27)7-13(23)5-12-6-15(21)16(22)8-14(12)20/h6,8,11,13,17H,3-5,7,9-10,23H2,1-2H3
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n/an/a 17.7n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126814
PNG
(US8785477, 1)
Show SMILES CN1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H22F3N3O/c1-22-8-10-2-3-23(16(10)9-22)17(24)6-12(21)4-11-5-14(19)15(20)7-13(11)18/h5,7,10,12,16H,2-4,6,8-9,21H2,1H3
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n/an/a 22.8n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126819
PNG
(US8785477, 20)
Show SMILES CC(C)(C)C(=O)N1CC2CCN(C2C1)C(=O)CC(N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C21H28F3N3O2/c1-21(2,3)20(29)26-10-12-4-5-27(18(12)11-26)19(28)8-14(25)6-13-7-16(23)17(24)9-15(13)22/h7,9,12,14,18H,4-6,8,10-11,25H2,1-3H3
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n/an/a 23.2n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126817
PNG
(US8785477, 12)
Show SMILES NC(CC(=O)N1CCC2CN(CC12)C(=O)C1CC1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H24F3N3O2/c21-15-8-17(23)16(22)6-13(15)5-14(24)7-19(27)26-4-3-12-9-25(10-18(12)26)20(28)11-1-2-11/h6,8,11-12,14,18H,1-5,7,9-10,24H2
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n/an/a 25.9n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126822
PNG
(US8785477, Sitagliptin)
Show SMILES NC(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
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n/an/a 26.0n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))		BDBM126821
PNG
(US8785477, Vildagliptin)
Show SMILES OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCCC1C#N |TLB:11:8:4:2.1.6,THB:10:8:4:2.1.6,10:1:4:8.7.9,7:8:2:4.5.6,7:5:2:8.10.9|
Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2
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n/an/a 80.1n/an/an/an/an/an/a



Shanghai Sun-Sail Pharmaceutical Science & Technology Co., Ltd.

US Patent


Assay Description
Thoroughly mixed test compounds, enzyme and reaction buffer, preincubated the mixture for 15 minutes at 37° C. and then primed reaction by adding sub...

US Patent US8785477 (2014)


BindingDB Entry DOI: 10.7270/Q20K278Q
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%