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Compile Data Set for Download or QSAR

Found 736 hits with Last Name = 'abou-gharbia' 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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Antagonistic activity towards dopamine D2 receptor using radioligand [3H]-spiperone in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50061649
PNG
(2-{[3-(Benzooxazol-5-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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0.190n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061682
PNG
((R)-2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol;...)
Show SMILES Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2/t19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061684
PNG
(2-(Benzylamino-methyl)-chroman-7-ol; oxalic acid |...)
Show SMILES Oc1ccc2CCC(CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2
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0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50061681
PNG
((R)-2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chro...)
Show SMILES Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2/t18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human Dopamine receptor D3 (hD3) using [3H]spiperone radioligand.


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061669
PNG
((R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic ac...)
Show SMILES Oc1ccc2CC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C17H19NO2/c19-15-8-6-14-7-9-16(20-17(14)10-15)12-18-11-13-4-2-1-3-5-13/h1-6,8,10,16,18-19H,7,9,11-12H2/t16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083280
PNG
(Adamantane-1-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C)NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1
Show InChI InChI=1S/C25H37N3O2/c1-18(26-24(29)25-14-19-11-20(15-25)13-21(12-19)16-25)17-27-7-9-28(10-8-27)22-5-3-4-6-23(22)30-2/h3-6,18-21H,7-17H2,1-2H3,(H,26,29)/t18-,19-,20+,21-,25?/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083308
PNG
(CHEMBL555379 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1
Show InChI InChI=1S/C23H33N3O2/c1-28-21-5-3-2-4-20(21)26-10-8-25(9-11-26)7-6-24-22(27)23-15-17-12-18(16-23)14-19(23)13-17/h2-5,17-19H,6-16H2,1H3,(H,24,27)/t17-,18?,19-,23?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061671
PNG
(3-{[3-(3-Amino-phenoxy)-propylamino]-methyl}-2,3-d...)
Show SMILES Nc1cccc(OCCCNC[C@H]2COc3ccc(O)cc3O2)c1
Show InChI InChI=1S/C18H22N2O4/c19-13-3-1-4-15(9-13)22-8-2-7-20-11-16-12-23-17-6-5-14(21)10-18(17)24-16/h1,3-6,9-10,16,20-21H,2,7-8,11-12,19H2/t16-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061646
PNG
(2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...)
Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50061646
PNG
(2-{[3-(3-Methyl-benzo[d]isoxazol-6-yloxy)-propylam...)
Show SMILES Cc1noc2cc(OCCCNCC3CCc4ccc(O)cc4O3)ccc12
Show InChI InChI=1S/C21H24N2O4/c1-14-19-8-7-17(12-21(19)27-23-14)25-10-2-9-22-13-18-6-4-15-3-5-16(24)11-20(15)26-18/h3,5,7-8,11-12,18,22,24H,2,4,6,9-10,13H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061636
PNG
(2-{[3-(3-Amino-4-chloro-phenoxy)-propylamino]-meth...)
Show SMILES Nc1cc(OCCCNCC2CCc3ccc(O)cc3O2)ccc1Cl
Show InChI InChI=1S/C19H23ClN2O3/c20-17-7-6-15(11-18(17)21)24-9-1-8-22-12-16-5-3-13-2-4-14(23)10-19(13)25-16/h2,4,6-7,10-11,16,22-23H,1,3,5,8-9,12,21H2
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0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061665
PNG
(2-[(4-Chloro-benzylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCc3ccc(Cl)cc3)Oc2c1
Show InChI InChI=1S/C17H18ClNO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2
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0.300n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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0.350n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Agonistic activity towards dopamine D2 receptor using radioligand [3H]-quinpirole in rat striatal membranes


Bioorg Med Chem Lett 8: 295-300 (1999)


Article DOI: 10.1016/s0960-894x(98)00014-6
BindingDB Entry DOI: 10.7270/Q28W3CG1
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061642
PNG
((S)-3-(Benzylamino-methyl)-2,3-dihydro-benzo[1,4]d...)
Show SMILES Oc1ccc2OC[C@H](CNCc3ccccc3)Oc2c1
Show InChI InChI=1S/C16H17NO3/c18-13-6-7-15-16(8-13)20-14(11-19-15)10-17-9-12-4-2-1-3-5-12/h1-8,14,17-18H,9-11H2/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061661
PNG
(2-[(3-Phenyl-propylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C19H23NO2/c21-17-10-8-16-9-11-18(22-19(16)13-17)14-20-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8,10,13,18,20-21H,4,7,9,11-12,14H2
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0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Binding affinity against M1 receptor was determined by displacing [3H]OXO-M in rat cortical homogenate


Bioorg Med Chem Lett 9: 1895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00313-3
BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50061682
PNG
((R)-2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol;...)
Show SMILES Oc1ccc2CC[C@H](CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2/t19-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061649
PNG
(2-{[3-(Benzooxazol-5-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ocnc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-20(14)10-15)12-21-8-1-9-24-16-6-7-19-18(11-16)22-13-25-19/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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0.400n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316673
PNG
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316677
PNG
(6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083300
PNG
(Adamantane-1-carboxylic acid [(R)-1-benzyl-2-(4-py...)
Show SMILES O=C(N[C@@H](CN1CCN(CC1)c1ncccn1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C28H37N5O/c34-26(28-17-22-13-23(18-28)15-24(14-22)19-28)31-25(16-21-5-2-1-3-6-21)20-32-9-11-33(12-10-32)27-29-7-4-8-30-27/h1-8,22-25H,9-20H2,(H,31,34)/t22-,23+,24-,25-,28?/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316680
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1
Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3
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0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316684
PNG
(3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1
Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3
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0.470n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50061654
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chroman-...)
Show SMILES Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2
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0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested to inhibit Dopa accumulation in Dopamine receptor D3 at 10 mg/kg, sc


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061673
PNG
(2-{[3-(Quinolin-7-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4cccnc4c3)Oc2c1
Show InChI InChI=1S/C22H24N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h1,3-5,7-8,11,13-14,20,23,25H,2,6,9-10,12,15H2
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0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061631
PNG
(2-{[3-(Benzooxazol-6-yloxy)-propylamino]-methyl}-c...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4ncoc4c3)Oc2c1
Show InChI InChI=1S/C20H22N2O4/c23-15-4-2-14-3-5-17(26-19(14)10-15)12-21-8-1-9-24-16-6-7-18-20(11-16)25-13-22-18/h2,4,6-7,10-11,13,17,21,23H,1,3,5,8-9,12H2
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0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061662
PNG
(2-{[3-(2-Amino-pyrimidin-4-yloxy)-propylamino]-met...)
Show SMILES Nc1nccc(OCCCNCC2CCc3ccc(O)cc3O2)n1
Show InChI InChI=1S/C17H22N4O3/c18-17-20-8-6-16(21-17)23-9-1-7-19-11-14-5-3-12-2-4-13(22)10-15(12)24-14/h2,4,6,8,10,14,19,22H,1,3,5,7,9,11H2,(H2,18,20,21)
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0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061638
PNG
(2-[(3-Phenoxy-propylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccccc3)Oc2c1
Show InChI InChI=1S/C19H23NO3/c21-16-9-7-15-8-10-18(23-19(15)13-16)14-20-11-4-12-22-17-5-2-1-3-6-17/h1-3,5-7,9,13,18,20-21H,4,8,10-12,14H2
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0.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316688
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1
Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3
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0.540n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061639
PNG
(2-{[(Thiophen-2-ylmethyl)-amino]-methyl}-chroman-7...)
Show SMILES Oc1ccc2CCC(CNCc3cccs3)Oc2c1
Show InChI InChI=1S/C15H17NO2S/c17-12-5-3-11-4-6-13(18-15(11)8-12)9-16-10-14-2-1-7-19-14/h1-3,5,7-8,13,16-17H,4,6,9-10H2
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061681
PNG
((R)-2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chro...)
Show SMILES Oc1ccc2CC[C@H](CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2/t18-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061640
PNG
((R)-2-(Benzylamino-methyl)-6-chloro-chroman-7-ol; ...)
Show SMILES Oc1cc2O[C@@H](CNCc3ccccc3)CCc2cc1Cl
Show InChI InChI=1S/C17H18ClNO2/c18-15-8-13-6-7-14(21-17(13)9-16(15)20)11-19-10-12-4-2-1-3-5-12/h1-5,8-9,14,19-20H,6-7,10-11H2/t14-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061632
PNG
(2-[(4-Phenyl-butylamino)-methyl]-chroman-7-ol; oxa...)
Show SMILES Oc1ccc2CCC(CNCCCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C20H25NO2/c22-18-11-9-17-10-12-19(23-20(17)14-18)15-21-13-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9,11,14,19,21-22H,4-5,8,10,12-13,15H2
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50061658
PNG
(2-{[3-(3-Amino-2-methyl-phenoxy)-propylamino]-meth...)
Show SMILES Cc1c(N)cccc1OCCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C20H26N2O3/c1-14-18(21)4-2-5-19(14)24-11-3-10-22-13-17-9-7-15-6-8-16(23)12-20(15)25-17/h2,4-6,8,12,17,22-23H,3,7,9-11,13,21H2,1H3
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061654
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-chroman-...)
Show SMILES Oc1ccc2CCC(CN3CCc4ccccc4C3)Oc2c1
Show InChI InChI=1S/C19H21NO2/c21-17-7-5-15-6-8-18(22-19(15)11-17)13-20-10-9-14-3-1-2-4-16(14)12-20/h1-5,7,11,18,21H,6,8-10,12-13H2
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50061675
PNG
(2-{[3-(1H-Indol-4-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3cccc4[nH]ccc34)Oc2c1
Show InChI InChI=1S/C21H24N2O3/c24-16-7-5-15-6-8-17(26-21(15)13-16)14-22-10-2-12-25-20-4-1-3-19-18(20)9-11-23-19/h1,3-5,7,9,11,13,17,22-24H,2,6,8,10,12,14H2
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061633
PNG
(2-[(4-Hydroxy-benzylamino)-methyl]-chroman-7-ol; o...)
Show SMILES Oc1ccc(CNCC2CCc3ccc(O)cc3O2)cc1
Show InChI InChI=1S/C17H19NO3/c19-14-5-1-12(2-6-14)10-18-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,18-20H,4,8,10-11H2
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0.600n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316682
PNG
(6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3
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0.610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316690
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1
Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3
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0.610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316678
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1
Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3
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0.630n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061679
PNG
(2-Hexylaminomethyl-chroman-7-ol; oxalic acid | CHE...)
Show SMILES CCCCCCNCC1CCc2ccc(O)cc2O1
Show InChI InChI=1S/C16H25NO2/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061643
PNG
(2-{[3-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-propyl...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4CCCNc4c3)Oc2c1
Show InChI InChI=1S/C22H28N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h4-5,7-8,13-14,20,23-25H,1-3,6,9-12,15H2
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083288
PNG
(Adamantane-1-carboxylic acid [1-benzyl-2-(4-benzyl...)
Show SMILES O=C(N[C@H](CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C31H41N3O/c35-30(31-19-26-15-27(20-31)17-28(16-26)21-31)32-29(18-24-7-3-1-4-8-24)23-34-13-11-33(12-14-34)22-25-9-5-2-6-10-25/h1-10,26-29H,11-23H2,(H,32,35)/t26-,27+,28-,29?,31?
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083307
PNG
(CHEMBL544163 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1
Show InChI InChI=1S/C22H30ClN3O/c23-19-2-1-3-20(13-19)26-8-6-25(7-9-26)5-4-24-21(27)22-14-16-10-17(15-22)12-18(22)11-16/h1-3,13,16-18H,4-12,14-15H2,(H,24,27)/t16-,17?,18-,22?/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


Article DOI: 10.1021/jm9806704
BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061675
PNG
(2-{[3-(1H-Indol-4-yloxy)-propylamino]-methyl}-chro...)
Show SMILES Oc1ccc2CCC(CNCCCOc3cccc4[nH]ccc34)Oc2c1
Show InChI InChI=1S/C21H24N2O3/c24-16-7-5-15-6-8-17(26-21(15)13-16)14-22-10-2-12-25-20-4-1-3-19-18(20)9-11-23-19/h1,3-5,7,9,11,13,17,22-24H,2,6,8,10,12,14H2
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50316679
PNG
(3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells


J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061674
PNG
(2-(Phenethylamino-methyl)-chroman-7-ol; oxalic aci...)
Show SMILES Oc1ccc2CCC(CNCCc3ccccc3)Oc2c1
Show InChI InChI=1S/C18H21NO2/c20-16-8-6-15-7-9-17(21-18(15)12-16)13-19-11-10-14-4-2-1-3-5-14/h1-6,8,12,17,19-20H,7,9-11,13H2
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0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50061657
PNG
(2-[(4-Fluoro-benzylamino)-methyl]-chroman-7-ol; ox...)
Show SMILES Oc1ccc2CCC(CNCc3ccc(F)cc3)Oc2c1
Show InChI InChI=1S/C17H18FNO2/c18-14-5-1-12(2-6-14)10-19-11-16-8-4-13-3-7-15(20)9-17(13)21-16/h1-3,5-7,9,16,19-20H,4,8,10-11H2
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0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat striatal Dopamine receptor D2 was determined using the agonist [3H]quinpirole to label the high affinity state (D2 h...


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50061643
PNG
(2-{[3-(1,2,3,4-Tetrahydro-quinolin-7-yloxy)-propyl...)
Show SMILES Oc1ccc2CCC(CNCCCOc3ccc4CCCNc4c3)Oc2c1
Show InChI InChI=1S/C22H28N2O3/c25-18-7-4-17-6-9-20(27-22(17)13-18)15-23-10-2-12-26-19-8-5-16-3-1-11-24-21(16)14-19/h4-5,7-8,13-14,20,23-25H,1-3,6,9-12,15H2
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0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat hippocampal 5-hydroxytryptamine 1A receptor was determined using [3H]8-OH-DPAT as radioligand


J Med Chem 40: 4235-56 (1998)


Article DOI: 10.1021/jm9703653
BindingDB Entry DOI: 10.7270/Q2KP82TD
More data for this
Ligand-Target Pair
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