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Patent code US9133197

Compile Data Set for Download or QSAR
Found 12 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
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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US Patent
8n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM181012
PNG
(US9133197, 4)
Show SMILES C[C@@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m1/s1
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US Patent
8n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
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US Patent
12n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM181011
PNG
(US9133197, 3)
Show SMILES C[C@H](O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)/t7-/m0/s1
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US Patent
19n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM181014
PNG
(US9133197, 6)
Show SMILES CCCC(=O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,17,18)
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US Patent
19n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM181013
PNG
(US9133197, 5)
Show SMILES CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,17,18)
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US Patent
22n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50011300
PNG
(CHEMBL2398482 | US9133197, 2)
Show SMILES CC(O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,16,17)
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US Patent
27 -43.2n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM181010
PNG
(US9133197, 1)
Show SMILES Cn1c(nc2c(N)nc(CCCCO)nc12)-n1nccn1
Show InChI InChI=1S/C12H16N8O/c1-19-11-9(18-12(19)20-14-5-6-15-20)10(13)16-8(17-11)4-2-3-7-21/h5-6,21H,2-4,7H2,1H3,(H2,13,16,17)
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US Patent
51 -41.6n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM181010
PNG
(US9133197, 1)
Show SMILES Cn1c(nc2c(N)nc(CCCCO)nc12)-n1nccn1
Show InChI InChI=1S/C12H16N8O/c1-19-11-9(18-12(19)20-14-5-6-15-20)10(13)16-8(17-11)4-2-3-7-21/h5-6,21H,2-4,7H2,1H3,(H2,13,16,17)
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US Patent
53n/an/an/an/an/an/a7.4n/a



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
The protein concentration of membrane suspension was determined using the Bradford method (Pierce, Rockford, Ill., USA) with bovine albumin as standa...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM181013
PNG
(US9133197, 5)
Show SMILES CCCC(O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H16N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-7,21H,3-4H2,1-2H3,(H2,13,17,18)
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US Patent
120 -39.5n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50011301
PNG
(CHEMBL2398486 | US9133197, 7)
Show SMILES CC(=O)CCc1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-7(21)3-4-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,16,17)
PDB

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US Patent
197 -38.3n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM181014
PNG
(US9133197, 6)
Show SMILES CCCC(=O)c1nc(N)c2nc(-n3nccn3)n(C)c2n1
Show InChI InChI=1S/C12H14N8O/c1-3-4-7(21)10-17-9(13)8-11(18-10)19(2)12(16-8)20-14-5-6-15-20/h5-6H,3-4H2,1-2H3,(H2,13,17,18)
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US Patent
216 -38.0n/an/an/an/an/a7.425



SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A.

US Patent


Assay Description
Competition binding experiments have been performed incubating membranes from CHO-K1 cells stably transfected with the human adenosine A1 receptor (c...


US Patent US9133197 (2015)


BindingDB Entry DOI: 10.7270/Q2542MB7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%