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Patent code USRE47351

Compile Data Set for Download or QSAR
Found 11 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


(GUINEA PIG)
BDBM377142
PNG
(1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES NC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C14H16N8O5/c15-10-7-12(20-14(19-10)22-2-5(1-18-22)11(16)26)21(4-17-7)13-9(25)8(24)6(3-23)27-13/h1-2,4,6,8-9,13,23-25H,3H2,(H2,16,26)(H2,15,19,20)/t6-,8-,9-,13?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
505n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377144
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethy...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1/C21H21ClN8O5/c22-12-3-1-10(2-4-12)5-24-19(34)11-6-26-30(7-11)21-27-17(23)14-18(28-21)29(9-25-14)20-16(33)15(32)13(8-31)35-20/h1-4,6-7,9,13,15-16,20,31-33H,5,8H2,(H,24,34)(H2,23,27,28)/t13-,15-,16-,20?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
505n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377134
PNG
(Ethyl 1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxy...)
Show SMILES CCOC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C16H19N7O6/c1-2-28-15(27)7-3-19-23(4-7)16-20-12(17)9-13(21-16)22(6-18-9)14-11(26)10(25)8(5-24)29-14/h3-4,6,8,10-11,14,24-26H,2,5H2,1H3,(H2,17,20,21)/t8-,10-,11-,14?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
505n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377141
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydrozymethy...)
Show SMILES CCNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C16H20N8O5/c1-2-18-14(28)7-3-20-24(4-7)16-21-12(17)9-13(22-16)23(6-19-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,2,5H2,1H3,(H,18,28)(H2,17,21,22)/t8-,10-,11-,15?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
505n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377140
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethy...)
Show SMILES CN(C)C(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C16H20N8O5/c1-22(2)14(28)7-3-19-24(4-7)16-20-12(17)9-13(21-16)23(6-18-9)15-11(27)10(26)8(5-25)29-15/h3-4,6,8,10-11,15,25-27H,5H2,1-2H3,(H2,17,20,21)/t8-,10-,11-,15?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
505n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377143
PNG
((1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethy...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(=O)NC1CCCC1
Show InChI InChI=1/C19H24N8O5/c20-15-12-16(26(8-21-12)18-14(30)13(29)11(7-28)32-18)25-19(24-15)27-6-9(5-22-27)17(31)23-10-3-1-2-4-10/h5-6,8,10-11,13-14,18,28-30H,1-4,7H2,(H,23,31)(H2,20,24,25)/t11-,13-,14-,18?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
505n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377139
PNG
(1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)C(O)=O
Show InChI InChI=1/C14H15N7O6/c15-10-7-11(19-14(18-10)21-2-5(1-17-21)13(25)26)20(4-16-7)12-9(24)8(23)6(3-22)27-12/h1-2,4,6,8-9,12,22-24H,3H2,(H,25,26)(H2,15,18,19)/t6-,8-,9-,12?/s2
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
>1.00E+3n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377136
PNG
((4S,2R,3R,5R)-2-{6-Amino-2-[4-(4-metboxyphenyl)pyr...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(CO)cc1
Show InChI InChI=1/C20H21N7O5/c21-17-14-18(26(9-22-14)19-16(31)15(30)13(8-29)32-19)25-20(24-17)27-6-12(5-23-27)11-3-1-10(7-28)2-4-11/h1-6,9,13,15-16,19,28-31H,7-8H2,(H2,21,24,25)/t13-,15-,16-,19?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.50E+3n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377135
PNG
((4S,2R,3R,5R)-2-{6-Amino-2-[4-(4-chlorophenyl)pyra...)
Show SMILES Nc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1/C19H18ClN7O4/c20-11-3-1-9(2-4-11)10-5-23-27(6-10)19-24-16(21)13-17(25-19)26(8-22-13)18-15(30)14(29)12(7-28)31-18/h1-6,8,12,14-15,18,28-30H,7H2,(H2,21,24,25)/t12-,14-,15-,18?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.50E+3n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM377137
PNG
((4S,2R,3R,5R)-2-{6-Amino2-[4-(4-methylphenyl)pyraz...)
Show SMILES Cc1ccc(cc1)-c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1/C20H21N7O4/c1-10-2-4-11(5-3-10)12-6-23-27(7-12)20-24-17(21)14-18(25-20)26(9-22-14)19-16(30)15(29)13(8-28)31-19/h2-7,9,13,15-16,19,28-30H,8H2,1H3,(H2,21,24,25)/t13-,15-,16-,19?/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.50E+3n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(GUINEA PIG)
BDBM50152084
PNG
(1-[6-Amino-9-(3,4-dihydroxy-5-hydroxymethyl-tetrah...)
Show SMILES CNC(=O)c1cnn(c1)-c1nc(N)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show InChI InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14?/m1/s1
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UniChem

Patents


Similars

US Patent
5.50E+3n/an/an/an/an/an/an/an/a



Gilead Sciences, Inc.

US Patent


Assay Description
Compounds of this invention were assayed to determine their affinity for the A2A receptor in a pig striatum membrane prep. Briefly, 0.2 mg of pig str...


US Patent USRE47351 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%