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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'neergaard' and Initial = 'jr'   
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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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0.160n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50028600
PNG
(1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
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0.540n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50028598
PNG
(1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
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2n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50028600
PNG
(1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50028600
PNG
(1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
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3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50028600
PNG
(1-(8-Chloro-dibenzo[b,f]oxepin-10-yl)-4-methyl-pip...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C19H19ClN2O/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,12-13H,8-11H2,1H3
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3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036437
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-piperidine; hy...)
Show SMILES CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C20H21NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,14-15H,10-13H2,1H3
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3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50028598
PNG
(1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
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4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036439
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-ethyl-1,2,3...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C22H23N/c1-2-23-13-11-17(12-14-23)22-16-19-8-4-3-7-18(19)15-20-9-5-6-10-21(20)22/h3-11,16H,2,12-15H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036440
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-1,2,3,6-tetrah...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C20H19NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-10,14H,11-13H2,1H3
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6n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50028598
PNG
(1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
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6n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036442
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-ethyl-1,2,3,6-tetrahy...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C21H21NO/c1-2-22-13-11-16(12-14-22)19-15-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21/h3-11,15H,2,12-14H2,1H3
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6n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036441
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-methyl-1,2,...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C21H21N/c1-22-12-10-16(11-13-22)21-15-18-7-3-2-6-17(18)14-19-8-4-5-9-20(19)21/h2-10,15H,11-14H2,1H3
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6n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036439
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-ethyl-1,2,3...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C22H23N/c1-2-23-13-11-17(12-14-23)22-16-19-8-4-3-7-18(19)15-20-9-5-6-10-21(20)22/h3-11,16H,2,12-15H2,1H3
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7n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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7n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


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



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036437
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-piperidine; hy...)
Show SMILES CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C20H21NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,14-15H,10-13H2,1H3
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8n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


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



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036437
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-piperidine; hy...)
Show SMILES CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C20H21NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,14-15H,10-13H2,1H3
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9.5n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036441
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-methyl-1,2,...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C21H21N/c1-22-12-10-16(11-13-22)21-15-18-7-3-2-6-17(18)14-19-8-4-5-9-20(19)21/h2-10,15H,11-14H2,1H3
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12n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036438
PNG
(1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:9|
Show InChI InChI=1S/C21H24N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3
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12n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036442
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-ethyl-1,2,3,6-tetrahy...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C21H21NO/c1-2-22-13-11-16(12-14-22)19-15-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21/h3-11,15H,2,12-14H2,1H3
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14n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036441
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-methyl-1,2,...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C21H21N/c1-22-12-10-16(11-13-22)21-15-18-7-3-2-6-17(18)14-19-8-4-5-9-20(19)21/h2-10,15H,11-14H2,1H3
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14n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036440
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-1,2,3,6-tetrah...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C20H19NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-10,14H,11-13H2,1H3
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20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036435
PNG
(1-Allyl-4-(5H-dibenzo[a,d]cyclohepten-10-yl)-1,2,3...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C23H23N/c1-2-13-24-14-11-18(12-15-24)23-17-20-8-4-3-7-19(20)16-21-9-5-6-10-22(21)23/h2-11,17H,1,12-16H2
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20n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM22871
PNG
(13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azat...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|
Show InChI InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
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21n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50028598
PNG
(1-Dibenzo[b,f]oxepin-10-yl-4-methyl-piperazine | C...)
Show SMILES CN1CCN(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C19H20N2O/c1-20-10-12-21(13-11-20)17-14-15-6-2-4-8-18(15)22-19-9-5-3-7-16(17)19/h2-9,14H,10-13H2,1H3
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21n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


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



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
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22n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036442
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-ethyl-1,2,3,6-tetrahy...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C21H21NO/c1-2-22-13-11-16(12-14-22)19-15-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21/h3-11,15H,2,12-14H2,1H3
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26n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036439
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-ethyl-1,2,3...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C22H23N/c1-2-23-13-11-17(12-14-23)22-16-19-8-4-3-7-18(19)15-20-9-5-6-10-21(20)22/h3-11,16H,2,12-15H2,1H3
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28n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036440
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-1,2,3,6-tetrah...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C20H19NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-10,14H,11-13H2,1H3
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29n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036438
PNG
(1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:9|
Show InChI InChI=1S/C21H24N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3
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36n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
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37n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036439
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-ethyl-1,2,3...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C22H23N/c1-2-23-13-11-17(12-14-23)22-16-19-8-4-3-7-18(19)15-20-9-5-6-10-21(20)22/h3-11,16H,2,12-15H2,1H3
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44n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036435
PNG
(1-Allyl-4-(5H-dibenzo[a,d]cyclohepten-10-yl)-1,2,3...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C23H23N/c1-2-13-24-14-11-18(12-15-24)23-17-20-8-4-3-7-19(20)16-21-9-5-6-10-22(21)23/h2-11,17H,1,12-16H2
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46n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036438
PNG
(1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:9|
Show InChI InChI=1S/C21H24N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3
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47n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
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51n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor in NIH3T3 cell line membr...


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036435
PNG
(1-Allyl-4-(5H-dibenzo[a,d]cyclohepten-10-yl)-1,2,3...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C23H23N/c1-2-13-24-14-11-18(12-15-24)23-17-20-8-4-3-7-19(20)16-21-9-5-6-10-22(21)23/h2-11,17H,1,12-16H2
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60n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036442
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-ethyl-1,2,3,6-tetrahy...)
Show SMILES CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:5,t:9|
Show InChI InChI=1S/C21H21NO/c1-2-22-13-11-16(12-14-22)19-15-17-7-3-5-9-20(17)23-21-10-6-4-8-18(19)21/h3-11,15H,2,12-14H2,1H3
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61n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50036444
PNG
(1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
Show InChI InChI=1S/C22H23N/c1-16-19-8-4-3-7-18(19)15-22(17-11-13-23(2)14-12-17)21-10-6-5-9-20(16)21/h3-11,15-16H,12-14H2,1-2H3
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72n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036437
PNG
(4-Dibenzo[b,f]oxepin-10-yl-1-methyl-piperidine; hy...)
Show SMILES CN1CCC(CC1)C1=Cc2ccccc2Oc2ccccc12 |t:8|
Show InChI InChI=1S/C20H21NO/c1-21-12-10-15(11-13-21)18-14-16-6-2-4-8-19(16)22-20-9-5-3-7-17(18)20/h2-9,14-15H,10-13H2,1H3
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82n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036435
PNG
(1-Allyl-4-(5H-dibenzo[a,d]cyclohepten-10-yl)-1,2,3...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C23H23N/c1-2-13-24-14-11-18(12-15-24)23-17-20-8-4-3-7-19(20)16-21-9-5-6-10-22(21)23/h2-11,17H,1,12-16H2
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83n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036441
PNG
(4-(5H-Dibenzo[a,d]cyclohepten-10-yl)-1-methyl-1,2,...)
Show SMILES CN1CCC(=CC1)C1=Cc2ccccc2Cc2ccccc12 |c:4,t:8|
Show InChI InChI=1S/C21H21N/c1-22-12-10-16(11-13-22)21-15-18-7-3-2-6-17(18)14-19-8-4-5-9-20(19)21/h2-10,15H,11-14H2,1H3
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89n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50036444
PNG
(1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(C2=CCN(C)CC2)c2ccccc12 |t:9,11|
Show InChI InChI=1S/C22H23N/c1-16-19-8-4-3-7-18(19)15-22(17-11-13-23(2)14-12-17)21-10-6-5-9-20(16)21/h3-11,15-16H,12-14H2,1-2H3
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89n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2C serotonin receptor.


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036438
PNG
(1-Methyl-4-(5-methyl-5H-dibenzo[a,d]cyclohepten-10...)
Show SMILES CC1c2ccccc2C=C(N2CCN(C)CC2)c2ccccc12 |t:9|
Show InChI InChI=1S/C21H24N2/c1-16-18-8-4-3-7-17(18)15-21(20-10-6-5-9-19(16)20)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3
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94n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the D2L dopamine receptor in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50036436
PNG
(4-(8-Chloro-5-isopropylidene-5H-dibenzo[a,d]cycloh...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]-[#6](=[#6]-[#6]-1)-[#6]-1=[#6]-c2ccccc2\[#6](=[#6](/[#6])-[#6])-c2ccc(Cl)cc-12 |c:4,t:8|
Show InChI InChI=1S/C24H24ClN/c1-16(2)24-20-7-5-4-6-18(20)14-22(17-10-12-26(3)13-11-17)23-15-19(25)8-9-21(23)24/h4-10,14-15H,11-13H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D4 in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50036434
PNG
(1-Allyl-4-dibenzo[b,f]oxepin-10-yl-1,2,3,6-tetrahy...)
Show SMILES C=CCN1CCC(=CC1)C1=Cc2ccccc2Oc2ccccc12 |c:6,t:10|
Show InChI InChI=1S/C22H21NO/c1-2-13-23-14-11-17(12-15-23)20-16-18-7-3-5-9-21(18)24-22-10-6-4-8-19(20)22/h2-11,16H,1,12-15H2
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110n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of [3H]spiperone to the Dopamine receptor D2L in COS7 cells


J Med Chem 38: 708-14 (1995)


BindingDB Entry DOI: 10.7270/Q2PG1SCG
More data for this
Ligand-Target Pair
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