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Compile Data Set for Download or QSAR

Found 665 hits with Last Name = 'padgett' and Initial = 'wl'   
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 A1


(Rattus norvegicus (rat))
BDBM25400
PNG
((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


Article DOI: 10.1016/0006-2952(92)90616-q
BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021484
PNG
(5-(6-Cyclohexylamino-purin-9-yl)-3,4-dihydroxy-tet...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1/C18H26N6O4/c1-2-19-17(27)14-12(25)13(26)18(28-14)24-9-22-11-15(20-8-21-16(11)24)23-10-6-4-3-5-7-10/h8-10,12-14,18,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)
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0.430n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


Article DOI: 10.1016/0006-2952(92)90616-q
BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50085658
PNG
((2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12
Show InChI InChI=1/C15H20ClN5O4/c16-15-19-12(18-7-3-1-2-4-7)9-13(20-15)21(6-17-9)14-11(24)10(23)8(5-22)25-14/h6-8,10-11,14,22-24H,1-5H2,(H,18,19,20)/t8-,10-,11-,14-/s2
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0.600n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


Article DOI: 10.1016/0006-2952(92)90616-q
BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.600n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM81787
PNG
(N6-Cyclopentyl-5'chloro Adenosine | N6-Cyclope...)
Show SMILES O[C@@H]1[C@@H](Cl)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
Show InChI InChI=1/C14H18ClN5O3/c15-11-9(21)10(22)14(23-11)20-6-18-8-12(16-5-17-13(8)20)19-7-3-1-2-4-7/h5-7,9-11,14,21-22H,1-4H2,(H,16,17,19)/t9-,10+,11-,14+/s2
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0.630n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


Article DOI: 10.1016/0006-2952(92)90616-q
BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50367265
PNG
(BDBM50396917 | CHEMBL1512545 | CHEMBL603401)
Show SMILES NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1S/C28H32N8O6/c29-9-10-30-21(38)11-16-1-5-18(6-2-16)34-22(39)12-17-3-7-19(8-4-17)35-26-23-27(32-14-31-26)36(15-33-23)28-25(41)24(40)20(13-37)42-28/h1-8,14-15,20,24-25,28,37,40-41H,9-13,29H2,(H,30,38)(H,34,39)(H,31,32,35)/t20-,24-,25-,28-/m1/s1
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0.850n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM21173
PNG
(1,3-dipropyl-8-cyclopentylxanthine | 8-cyclopentyl...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1
Show InChI InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
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0.900n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/s2
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1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
The compound was evaluated for percentage inhibition of binding of [3H]- nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in Rat Cerebral Co...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/s2
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1n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]nicotine to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50048458
PNG
(CHEMBL130162 | N-(2-Amino-ethyl)-2-[4-(6-oxo-1,3-d...)
Show SMILES CCCN1CN(CCC)C(=O)c2[nH]c(nc12)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H30N6O3/c1-3-11-26-14-27(12-4-2)21(29)18-20(26)25-19(24-18)15-5-7-16(8-6-15)30-13-17(28)23-10-9-22/h5-8H,3-4,9-14,22H2,1-2H3,(H,23,28)(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Tested for the displacement [3H]-PIA from Adenosine A1 receptor in rat brain membrane


J Med Chem 39: 398-406 (1996)


Article DOI: 10.1021/jm9504823
BindingDB Entry DOI: 10.7270/Q2M61JBR
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50207816
PNG
(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN)cc1
Show InChI InChI=1S/C21H28N6O4/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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1.30n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6-(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat cerebral cortical membranes


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


Article DOI: 10.1021/jm9904001
BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007838
PNG
(8-Cyclohexyl-1,3-dipropyl-3,7-dihydro-purine-2,6-d...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCCC1
Show InChI InChI=1S/C17H26N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H,18,19)
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1.5n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367278
PNG
(CHEMBL604003)
Show SMILES Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1/C25H26N6O5/c1-14-2-6-16(7-3-14)29-19(33)10-15-4-8-17(9-5-15)30-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,29,33)(H,26,27,30)/t18-,21-,22-,25?/s2
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367277
PNG
(CHEMBL606513)
Show SMILES Cc1cccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)c1
Show InChI InChI=1/C25H26N6O5/c1-14-3-2-4-17(9-14)29-19(33)10-15-5-7-16(8-6-15)30-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,29,33)(H,26,27,30)/t18-,21-,22-,25?/s2
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021078
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCN(CC)Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C30H38N6O5/c1-4-16-35-28-26(29(39)36(17-5-2)30(35)40)32-27(33-28)22-9-13-24(14-10-22)41-20-25(38)31-15-18-34(6-3)19-21-7-11-23(37)12-8-21/h7-14,37H,4-6,15-20H2,1-3H3,(H,31,38)(H,32,33)
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50315857
PNG
((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-methoxyphe...)
Show SMILES COc1ccc(Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1/C17H19N5O5/c1-26-10-4-2-9(3-5-10)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)27-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17-/s2
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2.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50348174
PNG
(CHEMBL1625681)
Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity against human recombinant Adenosine A3 receptor stably expressed in HEK293 cells by displacing [125I]AB-MECA radioligand


J Med Chem 45: 3440-50 (2002)


Article DOI: 10.1021/jm011093d
BindingDB Entry DOI: 10.7270/Q2PC333B
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82013
PNG
(8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihyd...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367273
PNG
(CHEMBL605042)
Show SMILES Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1/C17H19N5O4/c1-9-2-4-10(5-3-9)21-15-12-16(19-7-18-15)22(8-20-12)17-14(25)13(24)11(6-23)26-17/h2-5,7-8,11,13-14,17,23-25H,6H2,1H3,(H,18,19,21)/t11-,13-,14-,17?/s2
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367264
PNG
(CHEMBL604839)
Show SMILES COC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1/C27H28N6O7/c1-39-21(36)11-16-4-6-17(7-5-16)31-20(35)10-15-2-8-18(9-3-15)32-25-22-26(29-13-28-25)33(14-30-22)27-24(38)23(37)19(12-34)40-27/h2-9,13-14,19,23-24,27,34,37-38H,10-12H2,1H3,(H,31,35)(H,28,29,32)/t19-,23-,24-,27?/s2
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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2.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to muscarinic receptors in membranes of CHO cells transfected with Muscarinic acetylcholine rece...


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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2.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- quinuclidinyl benzilate binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membrane


J Med Chem 43: 2514-22 (2000)


Article DOI: 10.1021/jm9904001
BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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2.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]quinuclidinyl benzilate to Muscarinic acetylcholine receptor M2 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82010
PNG
(1,3-Dipropyl-8-(4-hydroxyphenyl)xanthine | 8-(4-Hy...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H20N4O3/c1-3-9-20-15-13(16(23)21(10-4-2)17(20)24)18-14(19-15)11-5-7-12(22)8-6-11/h5-8,22H,3-4,9-10H2,1-2H3,(H,18,19)
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM42467
PNG
((2R,3R,4S,5R)-2-(6-anilino-9-purinyl)-5-(hydroxyme...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12
Show InChI InChI=1S/C16H17N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-24H,6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367275
PNG
(CHEMBL604626)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)C(F)(F)F)cc3)ncnc12
Show InChI InChI=1/C25H23F3N6O5/c26-25(27,28)14-3-7-15(8-4-14)32-18(36)9-13-1-5-16(6-2-13)33-22-19-23(30-11-29-22)34(12-31-19)24-21(38)20(37)17(10-35)39-24/h1-8,11-12,17,20-21,24,35,37-38H,9-10H2,(H,32,36)(H,29,30,33)/t17-,20-,21-,24?/s2
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3.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M4 in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


Article DOI: 10.1021/jm9904001
BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021085
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C25H27N5O5/c1-3-13-29-23-21(24(33)30(14-4-2)25(29)34)27-22(28-23)16-5-11-19(12-6-16)35-15-20(32)26-17-7-9-18(31)10-8-17/h5-12,31H,3-4,13-15H2,1-2H3,(H,26,32)(H,27,28)
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4.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367263
PNG
(CHEMBL605047)
Show SMILES NNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1/C26H28N8O6/c27-33-20(37)10-15-1-5-16(6-2-15)31-19(36)9-14-3-7-17(8-4-14)32-24-21-25(29-12-28-24)34(13-30-21)26-23(39)22(38)18(11-35)40-26/h1-8,12-13,18,22-23,26,35,38-39H,9-11,27H2,(H,31,36)(H,33,37)(H,28,29,32)/t18-,22-,23-,26?/s2
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367279
PNG
(CHEMBL604629)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CC(=O)Nc4ccc(CC(=O)NCCNC(=O)CCc5ccc(O)cc5)cc4)cc3)ncnc12
Show InChI InChI=1/C37H40N8O8/c46-19-28-33(51)34(52)37(53-28)45-21-42-32-35(40-20-41-36(32)45)44-26-10-3-24(4-11-26)18-31(50)43-25-8-1-23(2-9-25)17-30(49)39-16-15-38-29(48)14-7-22-5-12-27(47)13-6-22/h1-6,8-13,20-21,28,33-34,37,46-47,51-52H,7,14-19H2,(H,38,48)(H,39,49)(H,43,50)(H,40,41,44)/t28-,33-,34-,37?/s2
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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4.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M1 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


Article DOI: 10.1021/jm9904001
BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021004
PNG
(8-(2,4-Diamino-phenyl)-1,3-dipropyl-3,7-dihydro-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(N)cc1N
Show InChI InChI=1S/C17H22N6O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,18-19H2,1-2H3,(H,20,21)
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4.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021086
PNG
(CHEMBL422937 | N-(8-Amino-octyl)-2-[4-(2,6-dioxo-1...)
Show SMILES CCCn1c2[nH]c(nc2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCCCCCCCN)cc1
Show InChI InChI=1S/C27H40N6O4/c1-3-17-32-25-23(26(35)33(18-4-2)27(32)36)30-24(31-25)20-11-13-21(14-12-20)37-19-22(34)29-16-10-8-6-5-7-9-15-28/h11-14H,3-10,15-19,28H2,1-2H3,(H,29,34)(H,30,31)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


Article DOI: 10.1016/0006-2952(92)90616-q
BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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5.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Affinity versus [3H]oxotremorine M (agonist) binding to Muscarinic acetylcholine receptor M1 in Rat Cerebral Cortical Membranes, (Kd=0.75 nM)


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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5.60n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]oxotremorine M to Muscarinic acetylcholine receptor M1 in rat cerebral cortical membranes


J Med Chem 41: 2047-55 (1998)


Article DOI: 10.1021/jm9705115
BindingDB Entry DOI: 10.7270/Q2B27VZZ
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM82025
PNG
(1,3-Dipropyl-8-phenylxanthine | 8-Phenyl-1,3-dipro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
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5.90n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]- N6 -(phenylisopropyl) adenosine binding to Adenosine A1 receptor in rat fat cell membrane


J Med Chem 32: 1231-7 (1989)


Article DOI: 10.1021/jm00126a014
BindingDB Entry DOI: 10.7270/Q2PZ57T1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50118807
PNG
(2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TE...)
Show SMILES Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



National Institutes of Diabetes and Digestive and Kidney Diseases

Curated by PDSP Ki Database




Biochem Pharmacol 43: 1089-93 (1992)


Article DOI: 10.1016/0006-2952(92)90616-q
BindingDB Entry DOI: 10.7270/Q20863S6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021077
PNG
(2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(N)=O)cc1
Show InChI InChI=1S/C19H23N5O4/c1-3-9-23-17-15(18(26)24(10-4-2)19(23)27)21-16(22-17)12-5-7-13(8-6-12)28-11-14(20)25/h5-8H,3-4,9-11H2,1-2H3,(H2,20,25)(H,21,22)
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes with 1 nM [3H]-cyclohexyladenosine


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367274
PNG
(CHEMBL604631)
Show SMILES CNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1/C27H29N7O6/c1-28-20(36)10-15-2-6-17(7-3-15)32-21(37)11-16-4-8-18(9-5-16)33-25-22-26(30-13-29-25)34(14-31-22)27-24(39)23(38)19(12-35)40-27/h2-9,13-14,19,23-24,27,35,38-39H,10-12H2,1H3,(H,28,36)(H,32,37)(H,29,30,33)/t19-,23-,24-,27?/s2
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6.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367272
PNG
(CHEMBL605460)
Show SMILES Cc1ccccc1NC(=O)Cc1ccc(Nc2ncnc3n(cnc23)C2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
Show InChI InChI=1/C25H26N6O5/c1-14-4-2-3-5-17(14)30-19(33)10-15-6-8-16(9-7-15)29-23-20-24(27-12-26-23)31(13-28-20)25-22(35)21(34)18(11-32)36-25/h2-9,12-13,18,21-22,25,32,34-35H,10-11H2,1H3,(H,30,33)(H,26,27,29)/t18-,21-,22-,25?/s2
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6.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021453
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C18H21N5O3/c1-3-9-22-16-13(17(25)23(10-4-2)18(22)26)20-15(21-16)12-7-5-11(6-8-12)14(19)24/h5-8H,3-4,9-10H2,1-2H3,(H2,19,24)(H,20,21)
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2
Show InChI InChI=1/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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7n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]- oxotremorine-M binding to human Muscarinic acetylcholine receptor M2 expressed in CHO cell membranes


J Med Chem 43: 2514-22 (2000)


Article DOI: 10.1021/jm9904001
BindingDB Entry DOI: 10.7270/Q29W0DR6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021456
PNG
(Acetic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetr...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC(C)=O)cc1
Show InChI InChI=1S/C19H22N4O4/c1-4-10-22-17-15(18(25)23(11-5-2)19(22)26)20-16(21-17)13-6-8-14(9-7-13)27-12(3)24/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021452
PNG
(4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-pu...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H21N5O4S/c1-3-9-21-15-13(16(23)22(10-4-2)17(21)24)19-14(20-15)11-5-7-12(8-6-11)27(18,25)26/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)(H2,18,25,26)
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8.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound against A1 adenosine receptors of the central nervous system


J Med Chem 29: 1520-4 (1986)


Article DOI: 10.1021/jm00158a034
BindingDB Entry DOI: 10.7270/Q25Q4V25
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50018002
PNG
(CHEMBL27081 | [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-t...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)ON2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C23H25N5O7/c1-3-11-26-21-19(22(32)27(12-4-2)23(26)33)24-20(25-21)14-5-7-15(8-6-14)34-13-18(31)35-28-16(29)9-10-17(28)30/h5-8H,3-4,9-13H2,1-2H3,(H,24,25)
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine A1 receptor in rat cerebral cortical membranes by [3H]-cyclohexyladenosine displacement.


J Med Chem 28: 1334-40 (1985)


Article DOI: 10.1021/jm00147a038
BindingDB Entry DOI: 10.7270/Q22Z14HN
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50367268
PNG
(CHEMBL605875)
Show SMILES CC(=O)NCCNC(=O)Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4n(cnc34)C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1
Show InChI InChI=1/C30H34N8O7/c1-17(40)31-10-11-32-23(41)12-18-2-6-20(7-3-18)36-24(42)13-19-4-8-21(9-5-19)37-28-25-29(34-15-33-28)38(16-35-25)30-27(44)26(43)22(14-39)45-30/h2-9,15-16,22,26-27,30,39,43-44H,10-14H2,1H3,(H,31,40)(H,32,41)(H,36,42)(H,33,34,37)/t22-,26-,27-,30?/s2
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9.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM N6-[3H]cyclohexyladenosine to adenosine A1 receptor on rat cerebral cortical membranes.


J Med Chem 28: 1341-6 (1985)


Article DOI: 10.1021/jm00147a039
BindingDB Entry DOI: 10.7270/Q2BP03CS
More data for this
Ligand-Target Pair
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