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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'abreu' and Initial = 'm'   
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))
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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0.230n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
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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0.300n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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0.450n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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0.470n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
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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0.630n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50036649
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...)
Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2
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0.710n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036648
PNG
((7R,10S)-4-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H22F2N2O/c24-15-5-3-14(4-6-15)22(28)2-1-11-27-17-8-10-21(27)23-18-12-16(25)7-9-19(18)26-20(23)13-17/h3-7,9,12,17,21,26H,1-2,8,10-11,13H2
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0.800n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011824
PNG
(8-Cyclopentyl-1-methyl-3-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-12-10(13(19)17(2)14(18)20)15-11(16-12)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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0.850n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011842
PNG
(8-Cyclopentyl-3-methyl-1-propyl-3,7-dihydro-purine...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCC1
Show InChI InChI=1S/C14H20N4O2/c1-3-8-18-13(19)10-12(17(2)14(18)20)16-11(15-10)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H,15,16)
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1.10n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011838
PNG
(8-(4-Hydroxy-phenyl)-3-methyl-1-propyl-3,7-dihydro...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H16N4O3/c1-3-8-19-14(21)11-13(18(2)15(19)22)17-12(16-11)9-4-6-10(20)7-5-9/h4-7,20H,3,8H2,1-2H3,(H,16,17)
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1.30n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50036647
PNG
((7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12
Show InChI InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
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1.70n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011835
PNG
(8-Cyclohexyl-1-methyl-3-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)C1CCCCC1
Show InChI InChI=1S/C15H22N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,16,17)
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1.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036650
PNG
((7R,10S)-5-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C24H24F2N2O/c25-16-6-4-15(5-7-16)23(29)3-1-2-12-28-18-9-11-22(28)24-19-13-17(26)8-10-20(19)27-21(24)14-18/h4-8,10,13,18,22,27H,1-3,9,11-12,14H2
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1.90n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036648
PNG
((7R,10S)-4-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H22F2N2O/c24-15-5-3-14(4-6-15)22(28)2-1-11-27-17-8-10-21(27)23-18-12-16(25)7-9-19(18)26-20(23)13-17/h3-7,9,12,17,21,26H,1-2,8,10-11,13H2
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2n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011825
PNG
(1,3-Dipropyl-8-thiophen-3-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccsc1
Show InChI InChI=1S/C15H18N4O2S/c1-3-6-18-13-11(14(20)19(7-4-2)15(18)21)16-12(17-13)10-5-8-22-9-10/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,17)
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2n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036647
PNG
((7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12
Show InChI InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
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2.10n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011836
PNG
(8-(4-Hydroxy-phenyl)-1-methyl-3-propyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H16N4O3/c1-3-8-19-13-11(14(21)18(2)15(19)22)16-12(17-13)9-4-6-10(20)7-5-9/h4-7,20H,3,8H2,1-2H3,(H,16,17)
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2.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036648
PNG
((7R,10S)-4-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C23H22F2N2O/c24-15-5-3-14(4-6-15)22(28)2-1-11-27-17-8-10-21(27)23-18-12-16(25)7-9-19(18)26-20(23)13-17/h3-7,9,12,17,21,26H,1-2,8,10-11,13H2
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2.60n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50036650
PNG
((7R,10S)-5-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C24H24F2N2O/c25-16-6-4-15(5-7-16)23(29)3-1-2-12-28-18-9-11-22(28)24-19-13-17(26)8-10-20(19)27-21(24)14-18/h4-8,10,13,18,22,27H,1-3,9,11-12,14H2
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2.60n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50036649
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...)
Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2
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2.70n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036647
PNG
((7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12
Show InChI InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
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2.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
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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2.80n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50036650
PNG
((7R,10S)-5-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C24H24F2N2O/c25-16-6-4-15(5-7-16)23(29)3-1-2-12-28-18-9-11-22(28)24-19-13-17(26)8-10-20(19)27-21(24)14-18/h4-8,10,13,18,22,27H,1-3,9,11-12,14H2
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2.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036650
PNG
((7R,10S)-5-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12
Show InChI InChI=1S/C24H24F2N2O/c25-16-6-4-15(5-7-16)23(29)3-1-2-12-28-18-9-11-22(28)24-19-13-17(26)8-10-20(19)27-21(24)14-18/h4-8,10,13,18,22,27H,1-3,9,11-12,14H2
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3n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50005366
PNG
(1,3-Dipropyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccs1
Show InChI InChI=1S/C15H18N4O2S/c1-3-7-18-13-11(14(20)19(8-4-2)15(18)21)16-12(17-13)10-6-5-9-22-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17)
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3.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011841
PNG
(1,3-Dipropyl-8-pyridin-4-yl-3,7-dihydro-purine-2,6...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccncc1
Show InChI InChI=1S/C16H19N5O2/c1-3-9-20-14-12(15(22)21(10-4-2)16(20)23)18-13(19-14)11-5-7-17-8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,18,19)
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3.20n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036651
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-3-[5-fl...)
Show SMILES Fc1ccc2c(CCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C23H21F2N3O/c24-13-4-7-18-17(10-13)23-20(26-18)12-15-5-8-21(23)28(15)9-1-2-19-16-6-3-14(25)11-22(16)29-27-19/h3-4,6-7,10-11,15,21,26H,1-2,5,8-9,12H2
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4.30n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50036647
PNG
((7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12
Show InChI InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
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4.40n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011833
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
Show InChI InChI=1S/C18H19N5O2/c1-3-9-22-16-14(17(24)23(10-4-2)18(22)25)20-15(21-16)13-7-5-12(11-19)6-8-13/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
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4.5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011846
PNG
(1-Methyl-3-propyl-8-thiophen-3-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccsc1
Show InChI InChI=1S/C13H14N4O2S/c1-3-5-17-11-9(12(18)16(2)13(17)19)14-10(15-11)8-4-6-20-7-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)
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4.70n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011839
PNG
(8-Cyclohexyl-3-methyl-1-propyl-3,7-dihydro-purine-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)C1CCCCC1
Show InChI InChI=1S/C15H22N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h10H,3-9H2,1-2H3,(H,16,17)
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5n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50405720
PNG
(CHEMBL2115342)
Show SMILES C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C16H21NO3/c1-16(19,13-5-3-2-4-6-13)15(18)20-14-11-17-9-7-12(14)8-10-17/h2-6,12,14,19H,7-11H2,1H3/t14-,16+/m0/s1
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6n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]QNB from rat ileum Muscarinic acetylcholine receptor


J Med Chem 33: 307-10 (1990)


Article DOI: 10.1021/jm00163a050
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011845
PNG
(4-(3-Methyl-2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N5O2/c1-3-8-21-15(22)12-14(20(2)16(21)23)19-13(18-12)11-6-4-10(9-17)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,19)
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6n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036649
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...)
Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2
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6.10n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011840
PNG
(1-Methyl-8-phenyl-3-propyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-13-11(14(20)18(2)15(19)21)16-12(17-13)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)
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6.30n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011843
PNG
(3-Methyl-1-propyl-8-thiophen-3-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccsc1
Show InChI InChI=1S/C13H14N4O2S/c1-3-5-17-12(18)9-11(16(2)13(17)19)15-10(14-9)8-4-6-20-7-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)
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6.40n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036651
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-3-[5-fl...)
Show SMILES Fc1ccc2c(CCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C23H21F2N3O/c24-13-4-7-18-17(10-13)23-20(26-18)12-15-5-8-21(23)28(15)9-1-2-19-16-6-3-14(25)11-22(16)29-27-19/h3-4,6-7,10-11,15,21,26H,1-2,5,8-9,12H2
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6.60n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011834
PNG
(3-Methyl-8-phenyl-1-propyl-3,7-dihydro-purine-2,6-...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H16N4O2/c1-3-9-19-14(20)11-13(18(2)15(19)21)17-12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,16,17)
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7n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036649
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...)
Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2
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8n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50036651
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-3-[5-fl...)
Show SMILES Fc1ccc2c(CCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1
Show InChI InChI=1S/C23H21F2N3O/c24-13-4-7-18-17(10-13)23-20(26-18)12-15-5-8-21(23)28(15)9-1-2-19-16-6-3-14(25)11-22(16)29-27-19/h3-4,6-7,10-11,15,21,26H,1-2,5,8-9,12H2
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8.5n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 2 receptor in rat striatal membranes by [3H]ketanserin displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011828
PNG
(1-Methyl-3-propyl-8-thiophen-2-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Show InChI InChI=1S/C13H14N4O2S/c1-3-6-17-11-9(12(18)16(2)13(17)19)14-10(15-11)8-5-4-7-20-8/h4-5,7H,3,6H2,1-2H3,(H,14,15)
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8.90n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011848
PNG
(3-Methyl-1-propyl-8-thiophen-2-yl-3,7-dihydro-puri...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1cccs1
Show InChI InChI=1S/C13H14N4O2S/c1-3-6-17-12(18)9-11(16(2)13(17)19)15-10(14-9)8-5-4-7-20-8/h4-5,7H,3,6H2,1-2H3,(H,14,15)
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9.70n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011849
PNG
(1,3-Dipropyl-8-pyridin-3-yl-3,7-dihydro-purine-2,6...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cccnc1
Show InChI InChI=1S/C16H19N5O2/c1-3-8-20-14-12(15(22)21(9-4-2)16(20)23)18-13(19-14)11-6-5-7-17-10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine A1 receptor in rat cortex by displacement of [3H]-cyclohexyladenosine (CHA)


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011844
PNG
(4-(1-Methyl-2,6-dioxo-3-propyl-2,3,6,7-tetrahydro-...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N5O2/c1-3-8-21-14-12(15(22)20(2)16(21)23)18-13(19-14)11-6-4-10(9-17)5-7-11/h4-7H,3,8H2,1-2H3,(H,18,19)
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14n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50006713
PNG
(1,3-Dipropyl-8-styryl-3,7-dihydro-purine-2,6-dione...)
Show SMILES CCCn1c2nc(C=Cc3ccccc3)[nH]c2c(=O)n(CCC)c1=O
Show InChI InChI=1S/C19H22N4O2/c1-3-12-22-17-16(18(24)23(13-4-2)19(22)25)20-15(21-17)11-10-14-8-6-5-7-9-14/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
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22n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011829
PNG
(1-Methyl-3-propyl-8-pyridin-4-yl-3,7-dihydro-purin...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C14H15N5O2/c1-3-8-19-12-10(13(20)18(2)14(19)21)16-11(17-12)9-4-6-15-7-5-9/h4-7H,3,8H2,1-2H3,(H,16,17)
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22n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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27n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2 in rat striatal membranes by [3H]-sulpiride displacement.


J Med Chem 36: 3073-6 (1993)


Article DOI: 10.1021/jm00073a005
BindingDB Entry DOI: 10.7270/Q2RF5T2N
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50011847
PNG
(3-Methyl-1-propyl-8-pyridin-4-yl-3,7-dihydro-purin...)
Show SMILES CCCn1c(=O)n(C)c2nc([nH]c2c1=O)-c1ccncc1
Show InChI InChI=1S/C14H15N5O2/c1-3-8-19-13(20)10-12(18(2)14(19)21)17-11(16-10)9-4-6-15-7-5-9/h4-7H,3,8H2,1-2H3,(H,16,17)
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28n/an/an/an/an/an/an/an/a



Nova Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor in rat cortex by the displacement of [3H]-cyclohexyladenosine (CHA).


J Med Chem 34: 1431-5 (1991)


Article DOI: 10.1021/jm00108a029
BindingDB Entry DOI: 10.7270/Q2G73CP1
More data for this
Ligand-Target Pair
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