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Compile Data Set for Download or QSAR

Found 187 hits from Center for Bio-Pharmaceutical Sciences   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020969
PNG
(1,3-Dimethyl-8-p-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-4-6-9(7-5-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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0.510n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
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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0.620n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020965
PNG
(8-(4-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1ccc(cc1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-4-6-9(21-3)7-5-8/h4-7H,1-3H3,(H,15,16)
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0.630n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020988
PNG
(8-(4-Chloro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C13H11ClN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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0.650n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005463
PNG
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)
Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50008387
PNG
(CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)
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1.5n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021011
PNG
(8-(4-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-3-5-8(14)6-4-7/h3-6H,1-2H3,(H,15,16)
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1.80n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
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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2n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020984
PNG
(8-(3-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccc(F)c1
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-4-3-5-8(14)6-7/h3-6H,1-2H3,(H,15,16)
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2.40n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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3.10n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021006
PNG
(1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-6-4-5-7-9(8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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3.60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021455
PNG
(8-(4-Methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C18H22N4O3/c1-4-10-21-16-14(17(23)22(11-5-2)18(21)24)19-15(20-16)12-6-8-13(25-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,19,20)
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4.60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
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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4.80n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 33: 1708-13 (1990)


Article DOI: 10.1021/jm00168a027
BindingDB Entry DOI: 10.7270/Q2CZ3643
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021009
PNG
(1,3-Dimethyl-8-m-tolyl-3,7-dihydro-purine-2,6-dion...)
Show SMILES Cc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O2/c1-8-5-4-6-9(7-8)11-15-10-12(16-11)17(2)14(20)18(3)13(10)19/h4-7H,1-3H3,(H,15,16)
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5.40n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020982
PNG
(8-(2-Fluoro-phenyl)-1,3-dimethyl-3,7-dihydro-purin...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F
Show InChI InChI=1S/C13H11FN4O2/c1-17-11-9(12(19)18(2)13(17)20)15-10(16-11)7-5-3-4-6-8(7)14/h3-6H,1-2H3,(H,15,16)
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6.80n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004575
PNG
(CHEMBL268071 | Cyclopentyl-(1-trifluoromethyl-[1,2...)
Show SMILES FC(F)(F)c1nnc2c(NC3CCCC3)nc3ccccc3n12
Show InChI InChI=1S/C15H14F3N5/c16-15(17,18)14-22-21-13-12(19-9-5-1-2-6-9)20-10-7-3-4-8-11(10)23(13)14/h3-4,7-9H,1-2,5-6H2,(H,19,20)
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7.30n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 33: 1708-13 (1990)


Article DOI: 10.1021/jm00168a027
BindingDB Entry DOI: 10.7270/Q2CZ3643
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020970
PNG
(8-(3-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1cccc(c1)-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-5-4-6-9(7-8)21-3/h4-7H,1-3H3,(H,15,16)
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8.70n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011600
PNG
(CHEMBL19095 | Cyclopentyl-(2-cyclopentyl-1H-imidaz...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
Show InChI InChI=1S/C20H24N4/c1-2-8-13(7-1)19-23-17-15-11-5-6-12-16(15)22-20(18(17)24-19)21-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,21,22)(H,23,24)
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9.10n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50008387
PNG
(CHEMBL19768 | Cyclopentyl-(2-phenyl-1H-imidazo[4,5...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C21H20N4/c1-2-8-14(9-3-1)20-24-18-16-12-6-7-13-17(16)23-21(19(18)25-20)22-15-10-4-5-11-15/h1-3,6-9,12-13,15H,4-5,10-11H2,(H,22,23)(H,24,25)
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10n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011599
PNG
(CHEMBL19305 | Cyclopentyl-(1H-imidazo[4,5-c]quinol...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
Show InChI InChI=1S/C15H16N4/c1-2-6-10(5-1)18-15-14-13(16-9-17-14)11-7-3-4-8-12(11)19-15/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)
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10n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(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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11n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011597
PNG
(2-Phenyl-1H-imidazo[4,5-c]quinolin-4-ylamine | CHE...)
Show SMILES Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C16H12N4/c17-15-14-13(11-8-4-5-9-12(11)18-15)19-16(20-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)(H,19,20)
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17n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004566
PNG
(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...)
Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
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21n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 33: 1708-13 (1990)


Article DOI: 10.1021/jm00168a027
BindingDB Entry DOI: 10.7270/Q2CZ3643
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011596
PNG
((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...)
Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
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23n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011597
PNG
(2-Phenyl-1H-imidazo[4,5-c]quinolin-4-ylamine | CHE...)
Show SMILES Nc1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C16H12N4/c17-15-14-13(11-8-4-5-9-12(11)18-15)19-16(20-14)10-6-2-1-3-7-10/h1-9H,(H2,17,18)(H,19,20)
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34n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82015
PNG
(1,3-Dimethyl-8-phenyl-3,9-dihydro-purine-2,6-dione...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
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37n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50004568
PNG
(8-Cyclohexylmethyl-1,3-dipropyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc(CC3CCCCC3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C18H28N4O2/c1-3-10-21-16-15(17(23)22(11-4-2)18(21)24)19-14(20-16)12-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,19,20)
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39n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011600
PNG
(CHEMBL19095 | Cyclopentyl-(2-cyclopentyl-1H-imidaz...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
Show InChI InChI=1S/C20H24N4/c1-2-8-13(7-1)19-23-17-15-11-5-6-12-16(15)22-20(18(17)24-19)21-14-9-3-4-10-14/h5-6,11-14H,1-4,7-10H2,(H,21,22)(H,23,24)
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39n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50007848
PNG
(8-Cyclopropyl-1,3-dipropyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CC1
Show InChI InChI=1S/C14H20N4O2/c1-3-7-17-12-10(15-11(16-12)9-5-6-9)13(19)18(8-4-2)14(17)20/h9H,3-8H2,1-2H3,(H,15,16)
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42n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011599
PNG
(CHEMBL19305 | Cyclopentyl-(1H-imidazo[4,5-c]quinol...)
Show SMILES C1CCC(C1)Nc1nc2ccccc2c2nc[nH]c12
Show InChI InChI=1S/C15H16N4/c1-2-6-10(5-1)18-15-14-13(16-9-17-14)11-7-3-4-8-12(11)19-15/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)
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43n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005459
PNG
(4-(3,4-Dichloro-benzoylamino)-4-dipentylcarbamoyl-...)
Show SMILES CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)/t19-/m1/s1
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49n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011594
PNG
(CHEMBL441954 | Phenyl-(2-phenyl-1H-imidazo[4,5-c]q...)
Show SMILES N(c1ccccc1)c1nc2ccccc2c2nc([nH]c12)-c1ccccc1
Show InChI InChI=1S/C22H16N4/c1-3-9-15(10-4-1)21-25-19-17-13-7-8-14-18(17)24-22(20(19)26-21)23-16-11-5-2-6-12-16/h1-14H,(H,23,24)(H,25,26)
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50n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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54n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50000412
PNG
(CHEMBL157073)
Show SMILES CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
Show InChI InChI=1S/C20H26N4O2/c1-4-9-14-10-7-8-11-15(14)17-21-16-18(22-17)23(12-5-2)20(26)24(13-6-3)19(16)25/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,22)
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60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50000412
PNG
(CHEMBL157073)
Show SMILES CCCc1ccccc1-c1nc2c([nH]1)n(CCC)c(=O)n(CCC)c2=O
Show InChI InChI=1S/C20H26N4O2/c1-4-9-14-10-7-8-11-15(14)17-21-16-18(22-17)23(12-5-2)20(26)24(13-6-3)19(16)25/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,21,22)
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60n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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61n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50368236
PNG
(CHEMBL1907708)
Show SMILES C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12
Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1
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74n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005456
PNG
(1-(4-Chloro-phenyl)-3-(3,3-diphenyl-allyl)-urea | ...)
Show SMILES Clc1ccc(NC(=O)NCC=C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C22H19ClN2O/c23-19-11-13-20(14-12-19)25-22(26)24-16-15-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H,16H2,(H2,24,25,26)
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90n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-L-364,718 binding to cholecystokinin type A receptor in rat pancreas membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005471
PNG
(1H-Indole-2-carboxylic acid (3-phenyl-allyl)-amide...)
Show SMILES O=C(NC\C=C\c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-11,13,20H,12H2,(H,19,21)/b9-6+
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180n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50021003
PNG
(8-(2-Methoxy-phenyl)-1,3-dimethyl-3,7-dihydro-puri...)
Show SMILES COc1ccccc1-c1nc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C14H14N4O3/c1-17-12-10(13(19)18(2)14(17)20)15-11(16-12)8-6-4-5-7-9(8)21-3/h4-7H,1-3H3,(H,15,16)
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191n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Evaluated for binding affinity against Adenosine A1 receptor


J Med Chem 35: 629-35 (1992)

Checked by Author
Article DOI: 10.1021/jm00082a003
BindingDB Entry DOI: 10.7270/Q23R0V5Q
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005453
PNG
(1H-Indole-2-carboxylic acid [3,3-bis-(4-chloro-phe...)
Show SMILES Clc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2N2O/c25-19-9-5-16(6-10-19)21(17-7-11-20(26)12-8-17)13-14-27-24(29)23-15-18-3-1-2-4-22(18)28-23/h1-13,15,28H,14H2,(H,27,29)
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200n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005450
PNG
(1-(4-Chloro-phenyl)-3-(3-pentyl-oct-2-enyl)-urea |...)
Show SMILES CCCCCC(CCCCC)=CCNC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN2O/c1-3-5-7-9-17(10-8-6-4-2)15-16-22-20(24)23-19-13-11-18(21)12-14-19/h11-15H,3-10,16H2,1-2H3,(H2,22,23,24)
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200n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011596
PNG
((2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-yl)-phe...)
Show SMILES C1CCC(C1)c1nc2c([nH]1)c(Nc1ccccc1)nc1ccccc21
Show InChI InChI=1S/C21H20N4/c1-2-10-15(11-3-1)22-21-19-18(16-12-6-7-13-17(16)23-21)24-20(25-19)14-8-4-5-9-14/h1-3,6-7,10-14H,4-5,8-9H2,(H,22,23)(H,24,25)
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230n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011595
PNG
(2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine ...)
Show SMILES Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
Show InChI InChI=1S/C15H16N4/c16-14-13-12(10-7-3-4-8-11(10)17-14)18-15(19-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,16,17)(H,18,19)
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270n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(BOVINE)
BDBM50011595
PNG
(2-Cyclopentyl-1H-imidazo[4,5-c]quinolin-4-ylamine ...)
Show SMILES Nc1nc2ccccc2c2nc([nH]c12)C1CCCC1
Show InChI InChI=1S/C15H16N4/c16-14-13-12(10-7-3-4-8-11(10)17-14)18-15(19-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,16,17)(H,18,19)
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290n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of calf brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005455
PNG
(1H-Indole-2-carboxylic acid (3,3-diphenyl-propyl)-...)
Show SMILES O=C(NCCC(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H22N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,21,26H,15-16H2,(H,25,27)
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290n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50015509
PNG
(5-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-1,6-dihyd...)
Show SMILES Cc1nn(C)c2c1nc([nH]c2=O)-c1ccc(Cl)cc1N
Show InChI InChI=1S/C13H12ClN5O/c1-6-10-11(19(2)18-6)13(20)17-12(16-10)8-4-3-7(14)5-9(8)15/h3-5H,15H2,1-2H3,(H,16,17,20)
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310n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat brain membranes


J Med Chem 33: 1708-13 (1990)


Article DOI: 10.1021/jm00168a027
BindingDB Entry DOI: 10.7270/Q2CZ3643
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50368236
PNG
(CHEMBL1907708)
Show SMILES C[C@H](Cc1ccccc1)Nc1nc2ccccc2c2nc[nH]c12
Show InChI InChI=1S/C19H18N4/c1-13(11-14-7-3-2-4-8-14)22-19-18-17(20-12-21-18)15-9-5-6-10-16(15)23-19/h2-10,12-13H,11H2,1H3,(H,20,21)(H,22,23)/t13-/m1/s1
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310n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]CPX from adenosine A1 receptor of rat brain cortical membrane


J Med Chem 34: 1202-6 (1991)


Article DOI: 10.1021/jm00107a046
BindingDB Entry DOI: 10.7270/Q2W37WX7
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50005466
PNG
(1H-Indole-2-carboxylic acid (3,3-diphenyl-allyl)-a...)
Show SMILES O=C(NCC=C(c1ccccc1)c1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H20N2O/c27-24(23-17-20-13-7-8-14-22(20)26-23)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,17,26H,16H2,(H,25,27)
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340n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-L-364,718 from Cholecystokinin type A receptor of rat pancreatic membranes


J Med Chem 35: 1042-9 (1992)


Article DOI: 10.1021/jm00084a009
BindingDB Entry DOI: 10.7270/Q2HT2N8R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81818
PNG
(CAS_1794 | CHEMBL1909810 | HMA | NSC_1794)
Show SMILES NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show InChI InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
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400n/an/an/an/an/an/an/an/a



Center for Bio-Pharmaceutical Sciences

Curated by PDSP Ki Database




J Recept Res 11: 891-907 (1991)


BindingDB Entry DOI: 10.7270/Q2TH8K5J
More data for this
Ligand-Target Pair
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