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PubMed code 10360740

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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2.60n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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2.70n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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4.20n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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11n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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12n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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12n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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15n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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16n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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24n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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30n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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31n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT1A receptor of rat hippocampus using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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34n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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44n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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46n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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46n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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56n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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77n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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184n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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185n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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195n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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232n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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263n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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320n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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327n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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334n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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334n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-2 adrenergic receptor of rat cerebral cortex using [3H]RX-821002


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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>367n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-HT2A receptor of rat cerebrial cortex using [3H]-ketanserin


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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783n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D2 of rat striatum using [3H]-raclopride


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077661
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23ClN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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1.57E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077660
PNG
(2-{4-[3-(4-Chloro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Clc1ccc(cc1)C1CCN(CCCCN2Cc3ccccc3C2=O)C1
Show InChI InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)18-11-14-24(15-18)12-3-4-13-25-16-19-5-1-2-6-21(19)22(25)26/h1-2,5-10,18H,3-4,11-16H2
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1.62E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077662
PNG
(2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-21-11-5-4-10-20(21)17-24(22)14-7-6-13-23-15-12-19(16-23)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
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1.95E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077664
PNG
(2-{4-[3-(4-Fluoro-phenyl)-pyrrolidin-1-yl]-butyl}-...)
Show SMILES Fc1ccc(cc1)C1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)C1
Show InChI InChI=1S/C21H23FN2O3S/c22-18-9-7-16(8-10-18)17-11-14-23(15-17)12-3-4-13-24-21(25)19-5-1-2-6-20(19)28(24,26)27/h1-2,5-10,17H,3-4,11-15H2
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6.67E+3n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077658
PNG
(1,1-Dioxo-2-[4-(3-phenyl-pyrrolidin-1-yl)-butyl]-1...)
Show SMILES O=C1N(CCCCN2CCC(C2)c2ccccc2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C21H24N2O3S/c24-21-19-10-4-5-11-20(19)27(25,26)23(21)14-7-6-13-22-15-12-18(16-22)17-8-2-1-3-9-17/h1-5,8-11,18H,6-7,12-16H2
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1.25E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077663
PNG
(CHEMBL280534 | {3-[3-(4-Chloro-phenyl)-pyrrolidin-...)
Show SMILES Clc1ccc(cc1)C1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)C1
Show InChI InChI=1S/C23H27ClN2O/c24-22-9-7-19(8-10-22)21-11-14-25(17-21)16-18-5-4-6-20(15-18)23(27)26-12-2-1-3-13-26/h4-10,15,21H,1-3,11-14,16-17H2
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3.76E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50077659
PNG
(CHEMBL281214 | [3-(3-Phenyl-pyrrolidin-1-ylmethyl)...)
Show SMILES O=C(N1CCCCC1)c1cccc(CN2CCC(C2)c2ccccc2)c1
Show InChI InChI=1S/C23H28N2O/c26-23(25-13-5-2-6-14-25)21-11-7-8-19(16-21)17-24-15-12-22(18-24)20-9-3-1-4-10-20/h1,3-4,7-11,16,22H,2,5-6,12-15,17-18H2
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8.81E+4n/an/an/an/an/an/an/an/a



POSTECH

Curated by ChEMBL


Assay Description
In vitro binding affinity against Dopamine receptor D1 of rat striatum using [3H]-SCH-23,390


Bioorg Med Chem Lett 9: 1379-84 (1999)


Article DOI: 10.1016/s0960-894x(99)00201-2
BindingDB Entry DOI: 10.7270/Q2862FMC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%