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Patent code US9115082

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
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM175238
PNG
(US9115082, 7)
Show SMILES OC(CNCC(=O)N1CCCC1C#N)COc1ccccc1
Show InChI InChI=1S/C16H21N3O3/c17-9-13-5-4-8-19(13)16(21)11-18-10-14(20)12-22-15-6-2-1-3-7-15/h1-3,6-7,13-14,18,20H,4-5,8,10-12H2
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US Patent
9.83E+3n/a 1.70E+4n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human recombinant adrenergic β1 receptors expressed in CHO-K1 cells are used in modified Tris-HCl buffer pH 7.4. A 25 aliquot is incubated with ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM175238
PNG
(US9115082, 7)
Show SMILES OC(CNCC(=O)N1CCCC1C#N)COc1ccccc1
Show InChI InChI=1S/C16H21N3O3/c17-9-13-5-4-8-19(13)16(21)11-18-10-14(20)12-22-15-6-2-1-3-7-15/h1-3,6-7,13-14,18,20H,4-5,8,10-12H2
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US Patent
2.20E+4n/a 3.20E+4n/an/an/an/a7.4n/a



TBA

US Patent


Assay Description
Human recombinant adrenergic β2 receptors expressed in CHO cells are used in modified Tris-HCl buffer pH 7.4. A 50 aliquot is incubated with 0.2...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM175238
PNG
(US9115082, 7)
Show SMILES OC(CNCC(=O)N1CCCC1C#N)COc1ccccc1
Show InChI InChI=1S/C16H21N3O3/c17-9-13-5-4-8-19(13)16(21)11-18-10-14(20)12-22-15-6-2-1-3-7-15/h1-3,6-7,13-14,18,20H,4-5,8,10-12H2
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US Patent
n/an/a 1n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50265160
PNG
(1-(2-amino-2-cyclohexylacetyl)pyrrolidine-2-carbon...)
Show SMILES NC(C1CCCCC1)C(=O)N1CCCC1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2
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US Patent
n/an/a 46n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50118952
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...)
Show SMILES CC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3
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US Patent
n/an/a 548n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50135065
PNG
(2-Amino-3-methyl-1-pyrrolidin-1-yl-pentan-1-one | ...)
Show SMILES CCC(C)C(N)C(=O)N1CCCC1
Show InChI InChI=1S/C10H20N2O/c1-3-8(2)9(11)10(13)12-6-4-5-7-12/h8-9H,3-7,11H2,1-2H3
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US Patent
n/an/a 2.00E+3n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM175240
PNG
(US9115082, 12)
Show SMILES CC(C)C(NCC(O)COc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C18H28N2O3/c1-14(2)17(18(22)20-10-6-7-11-20)19-12-15(21)13-23-16-8-4-3-5-9-16/h3-5,8-9,14-15,17,19,21H,6-7,10-13H2,1-2H3
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US Patent
n/an/a 8.50E+3n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM175239
PNG
(US9115082, 11)
Show SMILES OC(CNCC(=O)N1CCCC1)COc1ccccc1
Show InChI InChI=1S/C15H22N2O3/c18-13(12-20-14-6-2-1-3-7-14)10-16-11-15(19)17-8-4-5-9-17/h1-3,6-7,13,16,18H,4-5,8-12H2
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US Patent
n/an/a 1.20E+4n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM175241
PNG
(US9115082, 13)
Show SMILES CCC(C)C(NCC(O)COc1ccccc1)C(=O)N1CCCC1
Show InChI InChI=1S/C19H30N2O3/c1-3-15(2)18(19(23)21-11-7-8-12-21)20-13-16(22)14-24-17-9-5-4-6-10-17/h4-6,9-10,15-16,18,20,22H,3,7-8,11-14H2,1-2H3
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US Patent
n/an/a 3.30E+4n/an/an/an/a4.0n/a



TBA

US Patent


Assay Description
The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...


US Patent US9115082 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P7B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%