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PubMed code 10956192

Compile data set for download or QSAR
Found 31 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))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090762
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C17H25NO3/c1-5-9-18(12(2)3)13-10-15-14(17(19)20-4)7-6-8-16(15)21-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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0.320n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090763
PNG
((R)-3-{[4-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-but...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C27H39N3O4/c1-3-13-29(20-16-22-21(26(33)28-2)9-8-10-23(22)34-19-20)14-6-7-15-30-24(31)17-27(18-25(30)32)11-4-5-12-27/h8-10,20H,3-7,11-19H2,1-2H3,(H,28,33)
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0.340n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090756
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)OC)c2C1
Show InChI InChI=1S/C19H27NO3/c1-3-11-20(14-7-4-5-8-14)15-12-17-16(19(21)22-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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0.480n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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2.37n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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3.10n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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11.9n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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14n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090761
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C19H28N2O2/c1-3-11-21(14-7-4-5-8-14)15-12-17-16(19(22)20-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3,(H,20,22)
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18.5n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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64n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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98.4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090770
PNG
((R)-Isopropyl-(5-methoxy-chroman-3-yl)-propyl-amin...)
Show SMILES CCCN(C(C)C)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-5-9-17(12(2)3)13-10-14-15(18-4)7-6-8-16(14)19-11-13/h6-8,12-13H,5,9-11H2,1-4H3
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134n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptor by measuring its ability to displace [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocam...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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397n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-HT1A receptors assayed by displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampal membr...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090757
PNG
((R)-3-Isopropylamino-chroman-5-carboxylic acid ami...)
Show SMILES CC(C)NC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-8(2)15-9-6-11-10(13(14)16)4-3-5-12(11)17-7-9/h3-5,8-9,15H,6-7H2,1-2H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090754
PNG
((R)-3-Propylamino-chroman-5-carboxylic acid amide ...)
Show SMILES CCCNC1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C13H18N2O2/c1-2-6-15-9-7-11-10(13(14)16)4-3-5-12(11)17-8-9/h3-5,9,15H,2,6-8H2,1H3,(H2,14,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090759
PNG
((R)-3-Dipropylamino-chroman-5-carboxylic acid isop...)
Show SMILES CCCN(CCC)C1COc2cccc(C(=O)NC(C)C)c2C1
Show InChI InChI=1S/C19H30N2O2/c1-5-10-21(11-6-2)15-12-17-16(19(22)20-14(3)4)8-7-9-18(17)23-13-15/h7-9,14-15H,5-6,10-13H2,1-4H3,(H,20,22)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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>1.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50090758
PNG
((R)-3-(Cyclopentyl-propyl-amino)-chroman-5-carboxy...)
Show SMILES CCCN(C1CCCC1)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)
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>4.00E+3n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at D1 receptor by measuring its ability to displace [3H]-SCH-23,390 from Dopamine receptor D1 in rat striatum


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090771
PNG
((R)-1-[3-(Isopropyl-propyl-amino)-chroman-5-yl]-et...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(C)=O)c2C1
Show InChI InChI=1S/C17H25NO2/c1-5-9-18(12(2)3)14-10-16-15(13(4)19)7-6-8-17(16)20-11-14/h6-8,12,14H,5,9-11H2,1-4H3
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3.01E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A by measuring its ability to displace [3H]-raclopride from D2A receptor expressed in m...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090764
PNG
((R)-3-(Isopropyl-propyl-amino)-chroman-5-carboxyli...)
Show SMILES CCCN(C(C)C)C1COc2cccc(C(N)=O)c2C1
Show InChI InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at human cloned Dopamine receptor D2A measured by ability to displace [3H]-raclopride from D2A receptor expressed in mouse ...


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50090772
PNG
((R)-3-(Isobutyl-propyl-amino)-chroman-5-carboxylic...)
Show SMILES CCCN(CC(C)C)C1COc2cccc(C(=O)NC)c2C1
Show InChI InChI=1S/C18H28N2O2/c1-5-9-20(11-13(2)3)14-10-16-15(18(21)19-4)7-6-8-17(16)22-12-14/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,21)
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>5.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca R&D Södertälje

Curated by ChEMBL


Assay Description
In vitro binding affinity at 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat cortex


J Med Chem 43: 2837-50 (2000)


Article DOI: 10.1021/jm990956o
BindingDB Entry DOI: 10.7270/Q2610ZJK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%