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Compile Data Set for Download or QSAR

Found 693 hits with Last Name = 'unangst' and Initial = 'pc'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061349
PNG
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
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0.310n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061345
PNG
(CHEMBL129927 | [2-(3,4-Dimethyl-phenoxy)-ethyl]-(3...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1C
Show InChI InChI=1S/C19H25NO2/c1-16-9-10-19(15-17(16)2)22-14-12-20-11-6-13-21-18-7-4-3-5-8-18/h3-5,7-10,15,20H,6,11-14H2,1-2H3
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0.350n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061351
PNG
((3-Phenoxy-propyl)-(2-m-tolyloxy-ethyl)-amine | CH...)
Show SMILES Cc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C18H23NO2/c1-16-7-5-10-18(15-16)21-14-12-19-11-6-13-20-17-8-3-2-4-9-17/h2-5,7-10,15,19H,6,11-14H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061332
PNG
((3-Phenoxy-propyl)-(2-p-tolyloxy-ethyl)-amine | CH...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO2/c1-16-8-10-18(11-9-16)21-15-13-19-12-5-14-20-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3
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0.520n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061334
PNG
(CHEMBL131997 | [2-(3-Chloro-4-methyl-phenoxy)-ethy...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl
Show InChI InChI=1S/C18H22ClNO2/c1-15-8-9-17(14-18(15)19)22-13-11-20-10-5-12-21-16-6-3-2-4-7-16/h2-4,6-9,14,20H,5,10-13H2,1H3
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0.520n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061339
PNG
(CHEMBL132884 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C17H20ClNO2/c18-15-7-9-17(10-8-15)21-14-12-19-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-14H2
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0.530n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061329
PNG
((3-Phenylsulfanyl-propyl)-(2-p-tolyloxy-ethyl)-ami...)
Show SMILES Cc1ccc(OCCNCCCSc2ccccc2)cc1
Show InChI InChI=1S/C18H23NOS/c1-16-8-10-17(11-9-16)20-14-13-19-12-5-15-21-18-6-3-2-4-7-18/h2-4,6-11,19H,5,12-15H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061330
PNG
(CHEMBL129757 | [2-(4-Chloro-phenoxy)-ethyl]-[3-(4-...)
Show SMILES Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H19ClFNO2/c18-14-2-6-16(7-3-14)22-13-11-20-10-1-12-21-17-8-4-15(19)5-9-17/h2-9,20H,1,10-13H2
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0.840n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061325
PNG
(CHEMBL131357 | [3-(4-Fluoro-phenoxy)-propyl]-(2-p-...)
Show SMILES Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H22FNO2/c1-15-3-7-17(8-4-15)22-14-12-20-11-2-13-21-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3
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0.960n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061324
PNG
((2-p-Tolyloxy-ethyl)-(3-o-tolyloxy-propyl)-amine |...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2C)cc1
Show InChI InChI=1S/C19H25NO2/c1-16-8-10-18(11-9-16)21-15-13-20-12-5-14-22-19-7-4-3-6-17(19)2/h3-4,6-11,20H,5,12-15H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061327
PNG
((2-p-Tolyloxy-ethyl)-(3-m-tolyloxy-propyl)-amine |...)
Show SMILES Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1
Show InChI InChI=1S/C19H25NO2/c1-16-7-9-18(10-8-16)22-14-12-20-11-4-13-21-19-6-3-5-17(2)15-19/h3,5-10,15,20H,4,11-14H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061338
PNG
(CHEMBL337627 | [2-(4-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccc(OCCNCCCSc2ccccc2)cc1
Show InChI InChI=1S/C17H20ClNOS/c18-15-7-9-16(10-8-15)20-13-12-19-11-4-14-21-17-5-2-1-3-6-17/h1-3,5-10,19H,4,11-14H2
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1.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059507
PNG
(3-Benzyl-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4...)
Show SMILES COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H19NO3/c1-23-15-7-8-17-16-9-10-21(12-14-5-3-2-4-6-14)13-18(16)20(22)24-19(17)11-15/h2-8,11H,9-10,12-13H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human cloned Dopamine receptor D2 expressed in CHO K-1 cells in vitro.


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061346
PNG
((2-Phenoxy-ethyl)-(3-phenoxy-propyl)-amine | CHEMB...)
Show SMILES C(CNCCOc1ccccc1)COc1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-3-8-16(9-4-1)19-14-7-12-18-13-15-20-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
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2n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from human cloned Dopamine receptor D3 expressed in CHO K-1 cells in vitro.


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D3 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059505
PNG
(3-(4-Chloro-benzyl)-8-hydroxy-1,2,3,4-tetrahydro-c...)
Show SMILES Oc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C19H16ClNO3/c20-13-3-1-12(2-4-13)10-21-8-7-15-16-6-5-14(22)9-18(16)24-19(23)17(15)11-21/h1-6,9,22H,7-8,10-11H2
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2.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059504
PNG
(8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-c...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
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2.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061337
PNG
((2-Phenoxy-ethyl)-(3-p-tolyloxy-propyl)-amine | CH...)
Show SMILES Cc1ccc(OCCCNCCOc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO2/c1-16-8-10-18(11-9-16)20-14-5-12-19-13-15-21-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3
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2.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061336
PNG
(4-[2-(3-Phenoxy-propylamino)-ethoxy]-phenol | CHEM...)
Show SMILES Oc1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C17H21NO3/c19-15-7-9-17(10-8-15)21-14-12-18-11-4-13-20-16-5-2-1-3-6-16/h1-3,5-10,18-19H,4,11-14H2
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3.10n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061333
PNG
((3-Phenoxy-propyl)-(3-phenyl-propyl)-amine | CHEMB...)
Show SMILES C(CNCCCc1ccccc1)COc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-3-9-17(10-4-1)11-7-14-19-15-8-16-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2
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3.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059496
PNG
(3-Benzyl-8-methyl-1,2,3,4-tetrahydro-chromeno[3,4-...)
Show SMILES Cc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H19NO2/c1-14-7-8-17-16-9-10-21(12-15-5-3-2-4-6-15)13-18(16)20(22)23-19(17)11-14/h2-8,11H,9-10,12-13H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061334
PNG
(CHEMBL131997 | [2-(3-Chloro-4-methyl-phenoxy)-ethy...)
Show SMILES Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl
Show InChI InChI=1S/C18H22ClNO2/c1-15-8-9-17(14-18(15)19)22-13-11-20-10-5-12-21-16-6-3-2-4-7-16/h2-4,6-9,14,20H,5,10-13H2,1H3
UniProtKB/SwissProt

antibodypedia
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3.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D3 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059491
PNG
(3-(4-Fluoro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H18FNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061340
PNG
(CHEMBL131396 | [2-(2-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccccc1OCCNCCCOc1ccccc1
Show InChI InChI=1S/C17H20ClNO2/c18-16-9-4-5-10-17(16)21-14-12-19-11-6-13-20-15-7-2-1-3-8-15/h1-5,7-10,19H,6,11-14H2
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4.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061348
PNG
(CHEMBL132455 | [2-(4-Nitro-phenoxy)-ethyl]-(3-phen...)
Show SMILES [O-][N+](=O)c1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C17H20N2O4/c20-19(21)15-7-9-17(10-8-15)23-14-12-18-11-4-13-22-16-5-2-1-3-6-16/h1-3,5-10,18H,4,11-14H2
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4.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061331
PNG
((3-Phenoxy-propyl)-(3-p-tolyl-propyl)-amine | CHEM...)
Show SMILES Cc1ccc(CCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C19H25NO/c1-17-10-12-18(13-11-17)7-5-14-20-15-6-16-21-19-8-3-2-4-9-19/h2-4,8-13,20H,5-7,14-16H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061343
PNG
(CHEMBL128276 | [2-(4-Methoxy-phenoxy)-ethyl]-(3-ph...)
Show SMILES COc1ccc(OCCNCCCOc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO3/c1-20-16-8-10-18(11-9-16)22-15-13-19-12-5-14-21-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15H2,1H3
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5.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061326
PNG
(CHEMBL131484 | [2-(4-Chloro-phenoxy)-ethyl]-(3-p-t...)
Show SMILES Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H22ClNO2/c1-15-3-7-17(8-4-15)21-13-2-11-20-12-14-22-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3
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5.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059492
PNG
(3-(4-Fluoro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...)
Show SMILES Cc1ccc2c3CCN(Cc4ccc(F)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H18FNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059495
PNG
(8-Methoxy-3-(4-nitro-benzyl)-1,2,3,4-tetrahydro-ch...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)[N+]([O-])=O)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H18N2O5/c1-26-15-6-7-17-16-8-9-21(12-18(16)20(23)27-19(17)10-15)11-13-2-4-14(5-3-13)22(24)25/h2-7,10H,8-9,11-12H2,1H3
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7.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059497
PNG
(8-Methoxy-3-phenethyl-1,2,3,4-tetrahydro-chromeno[...)
Show SMILES COc1ccc2c3CCN(CCc4ccccc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C21H21NO3/c1-24-16-7-8-18-17-10-12-22(11-9-15-5-3-2-4-6-15)14-19(17)21(23)25-20(18)13-16/h2-8,13H,9-12,14H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059501
PNG
(8-Methoxy-3-(4-trifluoromethyl-benzyl)-1,2,3,4-tet...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(cc4)C(F)(F)F)Cc3c(=O)oc2c1
Show InChI InChI=1S/C21H18F3NO3/c1-27-15-6-7-17-16-8-9-25(12-18(16)20(26)28-19(17)10-15)11-13-2-4-14(5-3-13)21(22,23)24/h2-7,10H,8-9,11-12H2,1H3
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8.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059500
PNG
(3-(4-Chloro-benzyl)-8,9-dimethoxy-1,2,3,4-tetrahyd...)
Show SMILES COc1cc2oc(=O)c3CN(Cc4ccc(Cl)cc4)CCc3c2cc1OC
Show InChI InChI=1S/C21H20ClNO4/c1-25-19-9-16-15-7-8-23(11-13-3-5-14(22)6-4-13)12-17(15)21(24)27-18(16)10-20(19)26-2/h3-6,9-10H,7-8,11-12H2,1-2H3
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8.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059493
PNG
(3-(4-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...)
Show SMILES COc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H18ClNO3/c1-24-15-6-7-17-16-8-9-22(11-13-2-4-14(21)5-3-13)12-18(16)20(23)25-19(17)10-15/h2-7,10H,8-9,11-12H2,1H3
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8.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059499
PNG
(3-(4-Chloro-benzyl)-8-methyl-1,2,3,4-tetrahydro-ch...)
Show SMILES Cc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H18ClNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3
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11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061344
PNG
((2-p-Tolyloxy-ethyl)-(3-p-tolyloxy-propyl)-amine |...)
Show SMILES Cc1ccc(OCCCNCCOc2ccc(C)cc2)cc1
Show InChI InChI=1S/C19H25NO2/c1-16-4-8-18(9-5-16)21-14-3-12-20-13-15-22-19-10-6-17(2)7-11-19/h4-11,20H,3,12-15H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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16n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059508
PNG
(3-Benzyl-7,8-dimethoxy-1,2,3,4-tetrahydro-chromeno...)
Show SMILES COc1ccc2c3CCN(Cc4ccccc4)Cc3c(=O)oc2c1OC
Show InChI InChI=1S/C21H21NO4/c1-24-18-9-8-16-15-10-11-22(12-14-6-4-3-5-7-14)13-17(15)21(23)26-19(16)20(18)25-2/h3-9H,10-13H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(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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16n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50059494
PNG
(3-(3-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-c...)
Show SMILES COc1ccc2c3CCN(Cc4cccc(Cl)c4)Cc3c(=O)oc2c1
Show InChI InChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3
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17n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to displace [3H]-spiperone from cloned human Dopamine receptor D4 expressed in CHO K-1 cells in vitro


J Med Chem 40: 2688-93 (1997)


Article DOI: 10.1021/jm970170v
BindingDB Entry DOI: 10.7270/Q2SF2V8X
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061340
PNG
(CHEMBL131396 | [2-(2-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1ccccc1OCCNCCCOc1ccccc1
Show InChI InChI=1S/C17H20ClNO2/c18-16-9-4-5-10-17(16)21-14-12-19-11-6-13-20-15-7-2-1-3-8-15/h1-5,7-10,19H,6,11-14H2
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17n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D3 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50061333
PNG
((3-Phenoxy-propyl)-(3-phenyl-propyl)-amine | CHEMB...)
Show SMILES C(CNCCCc1ccccc1)COc1ccccc1
Show InChI InChI=1S/C18H23NO/c1-3-9-17(10-4-1)11-7-14-19-15-8-16-20-18-12-5-2-6-13-18/h1-6,9-10,12-13,19H,7-8,11,14-16H2
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17n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D3 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061335
PNG
((3-Phenoxy-propyl)-(2-o-tolyloxy-ethyl)-amine | CH...)
Show SMILES Cc1ccccc1OCCNCCCOc1ccccc1
Show InChI InChI=1S/C18H23NO2/c1-16-8-5-6-11-18(16)21-15-13-19-12-7-14-20-17-9-3-2-4-10-17/h2-6,8-11,19H,7,12-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061349
PNG
(CHEMBL129534 | [2-(3-Chloro-phenoxy)-ethyl]-(3-phe...)
Show SMILES Clc1cccc(OCCNCCCOc2ccccc2)c1
Show InChI InChI=1S/C17H20ClNO2/c18-15-6-4-9-17(14-15)21-13-11-19-10-5-12-20-16-7-2-1-3-8-16/h1-4,6-9,14,19H,5,10-13H2
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22n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against cloned human dopamine receptor D2 expressed in Chinese hamster ovary (CHO) K-1 cells by displacement of [3H]-spiperone.


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061347
PNG
(CHEMBL341225 | [3-(4-Bromo-phenoxy)-propyl]-(2-p-t...)
Show SMILES Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C18H22BrNO2/c1-15-3-7-17(8-4-15)22-14-12-20-11-2-13-21-18-9-5-16(19)6-10-18/h3-10,20H,2,11-14H2,1H3
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27n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human dopamine receptor D4 expressed in CHO cells by displacement of [3H]-spiperone


J Med Chem 40: 4026-9 (1998)


Article DOI: 10.1021/jm970422s
BindingDB Entry DOI: 10.7270/Q22J69Z9
More data for this
Ligand-Target Pair
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