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Compile Data Set for Download or QSAR

Found 398 hits with Last Name = 'mackenzie' and Initial = 'rg'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50052535
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1cccc(c1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Show InChI InChI=1S/C21H22N2/c22-21-11-6-8-18(17-21)7-4-5-14-23-15-12-20(13-16-23)19-9-2-1-3-10-19/h1-3,6,8-12,17H,5,13-16,22H2
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0.360n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat Dopamine receptor D3 expressed in CHO cells was determined using [125 I] iodosulpride as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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0.400n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]-Spiperone as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
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
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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0.5n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D2L receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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0.520n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
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))
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))
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052531
PNG
(4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1ccc(cc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Show InChI InChI=1S/C21H22N2/c22-21-11-9-18(10-12-21)6-4-5-15-23-16-13-20(14-17-23)19-7-2-1-3-8-19/h1-3,7-13H,5,14-17,22H2
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0.670n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
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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0.690n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human D3 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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1.86n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-spiperone as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052532
PNG
(6-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1ccc(nc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Show InChI InChI=1S/C20H21N3/c21-19-9-10-20(22-16-19)8-4-5-13-23-14-11-18(12-15-23)17-6-2-1-3-7-17/h1-3,6-7,9-11,16H,5,12-15,21H2
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1.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50289457
PNG
((R)-1-Phenoxy-3-(4-phenoxy-piperidin-1-yl)-propan-...)
Show SMILES O[C@@H](COc1ccccc1)CN1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C20H25NO3/c22-17(16-23-18-7-3-1-4-8-18)15-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h1-10,17,20,22H,11-16H2/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement.


Bioorg Med Chem Lett 7: 1377-1380 (1997)


Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-N-0437


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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2.20n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-NPA as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50052532
PNG
(6-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1ccc(nc1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Show InChI InChI=1S/C20H21N3/c21-19-9-10-20(22-16-19)8-4-5-13-23-14-11-18(12-15-23)17-6-2-1-3-7-17/h1-3,6-7,9-11,16H,5,12-15,21H2
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2.60n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 in CHO-K1 cells using [3H]-Spiperone as radioligand


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052528
PNG
(3-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1cccnc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-9-19(10-3-1)20-11-15-22(16-12-20)14-5-4-7-18-8-6-13-21-17-18/h1-3,6,8-11,13,17H,5,12,14-16H2
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3.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50048299
PNG
(4-Phenyl-1-((R)-3-phenyl-cyclohex-3-enylmethyl)-1,...)
Show SMILES C([C@@H]1CCC=C(C1)c1ccccc1)N1CCC(=CC1)c1ccccc1 |c:4,18|
Show InChI InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-6,9-14,20H,7-8,15-19H2/t20-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards rat striatal D2 receptor using [3H]-NPA as radioligand


J Med Chem 37: 3523-33 (1994)


BindingDB Entry DOI: 10.7270/Q2GT5M68
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048300
PNG
(4-(1-[methyl cyclohex-3-en-3-yl phenol]-1,2,3,6-te...)
Show SMILES Oc1ccc(cc1)C1=CCN(C[C@@H]2CCC=C(C2)c2ccc(O)cc2)CC1 |c:16,t:8|
Show InChI InChI=1S/C24H27NO2/c26-23-8-4-19(5-9-23)21-12-14-25(15-13-21)17-18-2-1-3-22(16-18)20-6-10-24(27)11-7-20/h3-12,18,26-27H,1-2,13-17H2/t18-/m1/s1
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3.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D3 evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048302
PNG
(4-[(R)-5-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmeth...)
Show SMILES Oc1ccc(cc1)C1=CCC[C@@H](CN2CCC(=CC2)c2ccccc2)C1 |c:17,t:8|
Show InChI InChI=1S/C24H27NO/c26-24-11-9-21(10-12-24)23-8-4-5-19(17-23)18-25-15-13-22(14-16-25)20-6-2-1-3-7-20/h1-3,6-13,19,26H,4-5,14-18H2/t19-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Dopamine receptor D2L evaluated using [3H]-spiperone


J Med Chem 38: 5007-14 (1996)


BindingDB Entry DOI: 10.7270/Q2VQ31SG
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50289448
PNG
(1-Phenoxy-3-(4-phenoxy-piperidin-1-yl)-propan-2-ol...)
Show SMILES OC(COc1ccccc1)CN1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C20H25NO3/c22-17(16-23-18-7-3-1-4-8-18)15-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h1-10,17,20,22H,11-16H2
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3.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against human cloned D4 receptor transfected in CHO-K1 cells by [3H]- spiperone displacement.


Bioorg Med Chem Lett 7: 1377-1380 (1997)


Article DOI: 10.1016/S0960-894X(97)00233-3
BindingDB Entry DOI: 10.7270/Q2WQ03SG
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50052533
PNG
(4-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES C(CN1CCC(=CC1)c1ccccc1)C#Cc1ccncc1 |c:5|
Show InChI InChI=1S/C20H20N2/c1-2-7-19(8-3-1)20-11-16-22(17-12-20)15-5-4-6-18-9-13-21-14-10-18/h1-3,7-11,13-14H,5,12,15-17H2
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4.10n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinityagainst Dopamine receptor D2 in CHO-K1 cells using radioligand [3H]-NPA binding assay


J Med Chem 39: 3179-87 (1996)


Article DOI: 10.1021/jm950721m
BindingDB Entry DOI: 10.7270/Q23N22GZ
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
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