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Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'li' and Initial = 'hb'   
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))
BDBM50036286
PNG
((R)-(-)-10-methyl-11-hydroxyaporphine | (R)-6,10-d...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(C)c(O)c-31
Show InChI InChI=1S/C18H19NO/c1-11-6-7-13-10-15-16-12(8-9-19(15)2)4-3-5-14(16)17(13)18(11)20/h3-7,15,20H,8-10H2,1-2H3/t15-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286092
PNG
(3-(1-Methyl-1,2,5,6-tetrahydro-pyridin-3-yl)-1H-in...)
Show SMILES CN1CCC=C(C1)c1c[nH]c2ccc(cc12)C(N)=O |c:4|
Show InChI InChI=1S/C15H17N3O/c1-18-6-2-3-11(9-18)13-8-17-14-5-4-10(15(16)19)7-12(13)14/h3-5,7-8,17H,2,6,9H2,1H3,(H2,16,19)
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286098
PNG
(3-(1-Propyl-1,2,5,6-tetrahydro-pyridin-3-yl)-1H-in...)
Show SMILES CCCN1CCC=C(C1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
Show InChI InChI=1S/C17H21N3O/c1-2-7-20-8-3-4-13(11-20)15-10-19-16-6-5-12(17(18)21)9-14(15)16/h4-6,9-10,19H,2-3,7-8,11H2,1H3,(H2,18,21)
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231651
PNG
(CHEMBL283398)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:4|
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5.30n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286073
PNG
(5-Methoxy-3-(1,2,5,6-tetrahydro-pyridin-3-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCCNC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-4-5-14-12(7-11)13(9-16-14)10-3-2-6-15-8-10/h3-5,7,9,15-16H,2,6,8H2,1H3
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5.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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9.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209178
PNG
(5-Bromo-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-y...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4|
Show InChI InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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11n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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11n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50158037
PNG
(1-Benzyl-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1cn(Cc2ccccc2)c2ccccc12 |c:4|
Show InChI InChI=1S/C21H22N2/c1-22-13-11-18(12-14-22)20-16-23(15-17-7-3-2-4-8-17)21-10-6-5-9-19(20)21/h2-11,16H,12-15H2,1H3
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15n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286089
PNG
(CHEMBL100814 | N-[3-(1-Methyl-1,2,5,6-tetrahydro-p...)
Show SMILES CN1CCC=C(C1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:4|
Show InChI InChI=1S/C16H19N3O/c1-11(20)18-13-5-6-16-14(8-13)15(9-17-16)12-4-3-7-19(2)10-12/h4-6,8-9,17H,3,7,10H2,1-2H3,(H,18,20)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231649
PNG
(CHEMBL281432)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(N)=O |c:6|
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17n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231669
PNG
(CHEMBL27719)
Show SMILES COC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:11|
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19n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50231652
PNG
(CHEMBL341485)
Show SMILES CN1CCC(CC1)c1c[nH]c2ccccc12
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19n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231634
PNG
(CHEMBL27643)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1cccs1 |c:4|
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19n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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20.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SCH-23,390 binding to rat striatal Dopamine receptor D1


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209179
PNG
(3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-5-nit...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)[N+]([O-])=O |c:4|
Show InChI InChI=1S/C14H15N3O2/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17(18)19)8-12(13)14/h2-4,8-9,15H,5-7H2,1H3
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21n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209169
PNG
(5-Methoxy-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4...)
Show SMILES COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
Show InChI InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
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21n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231661
PNG
(CHEMBL287576)
Show SMILES CSc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:9|
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23n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231662
PNG
(CHEMBL281434)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C(C)=O |c:4|
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23n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286075
PNG
(5-Bromo-3-(1-ethyl-1,2,5,6-tetrahydro-pyridin-3-yl...)
Show SMILES CCN1CCC=C(C1)c1c[nH]c2ccc(Br)cc12 |c:5|
Show InChI InChI=1S/C15H17BrN2/c1-2-18-7-3-4-11(10-18)14-9-17-15-6-5-12(16)8-13(14)15/h4-6,8-9,17H,2-3,7,10H2,1H3
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231663
PNG
(CHEMBL417470)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccsc1 |c:4|
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25n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231639
PNG
(CHEMBL26900)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccccn1 |c:4|
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25n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231643
PNG
(CHEMBL26311)
Show SMILES CCOC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 |t:12|
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36n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231636
PNG
(CHEMBL287097)
Show SMILES CCCN1CCC(=CC1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:6|
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37n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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41.9n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-raclopride binding to cloned human Dopamine receptor D2A


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286095
PNG
(3-(1-Ethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-5-meth...)
Show SMILES CCN1CCC=C(C1)c1c[nH]c2ccc(C)cc12 |c:5|
Show InChI InChI=1S/C16H20N2/c1-3-18-8-4-5-13(11-18)15-10-17-16-7-6-12(2)9-14(15)16/h5-7,9-10,17H,3-4,8,11H2,1-2H3
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50286076
PNG
(5-Fluoro-3-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-...)
Show SMILES CN1CCC=C(C1)c1c[nH]c2ccc(F)cc12 |c:4|
Show InChI InChI=1S/C14H15FN2/c1-17-6-2-3-10(9-17)13-8-16-14-5-4-11(15)7-12(13)14/h3-5,7-8,16H,2,6,9H2,1H3
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43n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50231640
PNG
(CHEMBL285157 | TCMDC-123457)
Show SMILES C(N1CCC(=CC1)c1c[nH]c2ccccc12)c1ccccc1 |c:4|
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44n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4|
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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45n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286084
PNG
(5-Chloro-3-(1-ethyl-1,2,5,6-tetrahydro-pyridin-3-y...)
Show SMILES CCN1CCC=C(C1)c1c[nH]c2ccc(Cl)cc12 |c:5|
Show InChI InChI=1S/C15H17ClN2/c1-2-18-7-3-4-11(10-18)14-9-17-15-6-5-12(16)8-13(14)15/h4-6,8-9,17H,2-3,7,10H2,1H3
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47n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50209178
PNG
(5-Bromo-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-y...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Br)cc12 |c:4|
Show InChI InChI=1S/C14H15BrN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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48n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286082
PNG
(5-Bromo-3-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-y...)
Show SMILES CN1CCC=C(C1)c1c[nH]c2ccc(Br)cc12 |c:4|
Show InChI InChI=1S/C14H15BrN2/c1-17-6-2-3-10(9-17)13-8-16-14-5-4-11(15)7-12(13)14/h3-5,7-8,16H,2,6,9H2,1H3
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50209174
PNG
(5-Chloro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12 |c:4|
Show InChI InChI=1S/C14H15ClN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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51n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209177
PNG
(3-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)C#N |c:4|
Show InChI InChI=1S/C15H15N3/c1-18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-4,8,10,17H,5-7H2,1H3
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55n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231632
PNG
(CHEMBL284107 | TCMDC-138962)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccccc1 |c:4|
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55n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016013
PNG
((R)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31
Show InChI InChI=1S/C17H17NO/c1-18-9-8-11-4-2-6-13-16(11)14(18)10-12-5-3-7-15(19)17(12)13/h2-7,14,19H,8-10H2,1H3/t14-/m1/s1
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58.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-raclopride binding to cloned human Dopamine receptor D2A


J Med Chem 38: 647-58 (1995)


BindingDB Entry DOI: 10.7270/Q2HX1BQH
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231665
PNG
(CHEMBL26836)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(O)cc12 |c:4|
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62n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50209163
PNG
(5-Fluoro-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(F)cc12 |c:4|
Show InChI InChI=1S/C14H15FN2/c1-17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,16H,5-7H2,1H3
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65n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50015718
PNG
(5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2
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65n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50286097
PNG
(3-(1-Ethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-5-fluo...)
Show SMILES CCN1CCC=C(C1)c1c[nH]c2ccc(F)cc12 |c:5|
Show InChI InChI=1S/C15H17FN2/c1-2-18-7-3-4-11(10-18)14-9-17-15-6-5-12(16)8-13(14)15/h4-6,8-9,17H,2-3,7,10H2,1H3
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67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM31034
PNG
(3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole...)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccccc12 |c:4|
Show InChI InChI=1S/C14H16N2/c1-16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2-6,10,15H,7-9H2,1H3
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67n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231653
PNG
(CHEMBL26972)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccc(F)cc1 |c:4|
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69n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286100
PNG
(3-(1-Ethyl-1,2,5,6-tetrahydro-pyridin-3-yl)-5-meth...)
Show SMILES CCN1CCC=C(C1)c1c[nH]c2ccc(OC)cc12 |c:5|
Show InChI InChI=1S/C16H20N2O/c1-3-18-8-4-5-12(11-18)15-10-17-16-7-6-13(19-2)9-14(15)16/h5-7,9-10,17H,3-4,8,11H2,1-2H3
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286074
PNG
(5-Methyl-3-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-...)
Show SMILES CN1CCC=C(C1)c1c[nH]c2ccc(C)cc12 |c:4|
Show InChI InChI=1S/C15H18N2/c1-11-5-6-15-13(8-11)14(9-16-15)12-4-3-7-17(2)10-12/h4-6,8-9,16H,3,7,10H2,1-2H3
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72n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231659
PNG
(CHEMBL282799)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)-c1ccncc1 |c:4|
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74n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231660
PNG
(CHEMBL26322)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(NC(C)=O)cc12 |c:4|
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78n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50286099
PNG
(5-Methoxy-3-(1-methyl-1,2,5,6-tetrahydro-pyridin-3...)
Show SMILES COc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1 |t:9|
Show InChI InChI=1S/C15H18N2O/c1-17-7-3-4-11(10-17)14-9-16-15-6-5-12(18-2)8-13(14)15/h4-6,8-9,16H,3,7,10H2,1-2H3
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79n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT radioligand assay.


Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50231700
PNG
(CHEMBL27998)
Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(OC(C)=O)cc12 |c:4|
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81n/an/an/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL




J Med Chem 36: 4006-14 (1993)


Article DOI: 10.1021/jm00077a003
BindingDB Entry DOI: 10.7270/Q2W37ZJ4
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50286082
PNG
(5-Bromo-3-(1-methyl-1,2,5,6-tetrahydro-pyridin-3-y...)
Show SMILES CN1CCC=C(C1)c1c[nH]c2ccc(Br)cc12 |c:4|
Show InChI InChI=1S/C14H15BrN2/c1-17-6-2-3-10(9-17)13-8-16-14-5-4-11(15)7-12(13)14/h3-5,7-8,16H,2,6,9H2,1H3
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82n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 5: 2963-2968 (1995)


Article DOI: 10.1016/0960-894X(95)00534-8
BindingDB Entry DOI: 10.7270/Q2862GD3
More data for this
Ligand-Target Pair
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