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Compile Data Set for Download or QSAR

Found 338 hits with Last Name = 'glase' and Initial = 'sa'   
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))
BDBM50123626
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010621
PNG
(6-[Propyl-(2-thiophen-3-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-8-15-9-12-22-14-15)17-6-7-18-16(13-17)4-3-5-19(18)21/h3-5,9,12,14,17,21H,2,6-8,10-11,13H2,1H3
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0.140n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
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
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054070
PNG
(6-Propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol |...)
Show SMILES CCCNC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010289
PNG
((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
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0.5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054067
PNG
((2R)-7-Dipropylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3/t15-/m1/s1
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0.570n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054077
PNG
(7-Propylamino-5,6,7,8-tetrahydro-naphthalen-2-ol |...)
Show SMILES CCCNC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-12-5-3-10-4-6-13(15)9-11(10)8-12/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3
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0.660n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.660n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.


J Med Chem 38: 3132-7 (1995)


BindingDB Entry DOI: 10.7270/Q28W3C9S
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054075
PNG
(7-(Methyl-propyl-amino)-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C14H21NO/c1-3-8-15(2)13-6-4-11-5-7-14(16)10-12(11)9-13/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3
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0.670n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054069
PNG
(7-(Ethyl-methyl-amino)-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C13H19NO/c1-3-14(2)12-6-4-10-5-7-13(15)9-11(10)8-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3
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0.710n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054075
PNG
(7-(Methyl-propyl-amino)-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C14H21NO/c1-3-8-15(2)13-6-4-11-5-7-14(16)10-12(11)9-13/h5,7,10,13,16H,3-4,6,8-9H2,1-2H3
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0.740n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
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0.75n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054070
PNG
(6-Propylamino-5,6,7,8-tetrahydro-naphthalen-1-ol |...)
Show SMILES CCCNC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3
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0.75n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
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0.760n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50032644
PNG
(CHEMBL110888 | N*6*,N*6*-Dipropyl-5,6,7,8-tetrahyd...)
Show SMILES CCCN(CCC)C1CCc2nc(N)ccc2C1
Show InChI InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)
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0.870n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.


J Med Chem 38: 3132-7 (1995)


BindingDB Entry DOI: 10.7270/Q28W3C9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50369174
PNG
(CHEMBL94015 | PD-128907)
Show SMILES CCCN1COC[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-9-17-7-12-11-6-10(16)3-4-14(11)18-8-13(12)15/h3-4,6,12-13,16H,2,5,7-9H2,1H3/t12-,13-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054076
PNG
(7-Dimethylamino-5,6,7,8-tetrahydro-naphthalen-2-ol...)
Show SMILES CN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C12H17NO/c1-13(2)11-5-3-9-4-6-12(14)8-10(9)7-11/h4,6,8,11,14H,3,5,7H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010621
PNG
(6-[Propyl-(2-thiophen-3-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1ccsc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-8-15-9-12-22-14-15)17-6-7-18-16(13-17)4-3-5-19(18)21/h3-5,9,12,14,17,21H,2,6-8,10-11,13H2,1H3
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1.80n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50032643
PNG
(CHEMBL105512 | N*6*,N*6*-Dipropyl-4,5,6,7-tetrahyd...)
Show SMILES CCCN(CCC)C1CCc2nc(N)sc2C1
Show InChI InChI=1S/C13H23N3S/c1-3-7-16(8-4-2)10-5-6-11-12(9-10)17-13(14)15-11/h10H,3-9H2,1-2H3,(H2,14,15)
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1.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells


J Med Chem 38: 3132-7 (1995)


BindingDB Entry DOI: 10.7270/Q28W3C9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054078
PNG
(7-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-naph...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C21H27NO/c1-2-13-22(14-12-17-6-4-3-5-7-17)20-10-8-18-9-11-21(23)16-19(18)15-20/h3-7,9,11,16,20,23H,2,8,10,12-15H2,1H3
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2n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054069
PNG
(7-(Ethyl-methyl-amino)-5,6,7,8-tetrahydro-naphthal...)
Show SMILES CCN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C13H19NO/c1-3-14(2)12-6-4-10-5-7-13(15)9-11(10)8-12/h5,7,9,12,15H,3-4,6,8H2,1-2H3
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2.5n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
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 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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020503
PNG
(7-Amino-5,6,7,8-tetrahydro-naphthalen-2-ol | CHEMB...)
Show SMILES NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h2,4,6,9,12H,1,3,5,11H2
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3.30n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010289
PNG
((R)6-(Phenethyl-propyl-amino)-5,6,7,8-tetrahydro-n...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
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3.40n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054077
PNG
(7-Propylamino-5,6,7,8-tetrahydro-naphthalen-2-ol |...)
Show SMILES CCCNC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C13H19NO/c1-2-7-14-12-5-3-10-4-6-13(15)9-11(10)8-12/h4,6,9,12,14-15H,2-3,5,7-8H2,1H3
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3.80n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50123626
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1
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4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50032644
PNG
(CHEMBL110888 | N*6*,N*6*-Dipropyl-5,6,7,8-tetrahyd...)
Show SMILES CCCN(CCC)C1CCc2nc(N)ccc2C1
Show InChI InChI=1S/C15H25N3/c1-3-9-18(10-4-2)13-6-7-14-12(11-13)5-8-15(16)17-14/h5,8,13H,3-4,6-7,9-11H2,1-2H3,(H2,16,17)
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5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells


J Med Chem 38: 3132-7 (1995)


BindingDB Entry DOI: 10.7270/Q28W3C9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50032641
PNG
(CHEMBL105977 | Dipropyl-(5,6,7,8-tetrahydro-quinol...)
Show SMILES CCCN(CCC)C1CCc2ncccc2C1
Show InChI InChI=1S/C15H24N2/c1-3-10-17(11-4-2)14-7-8-15-13(12-14)6-5-9-16-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound is the ability to displace [3H]-spiperone from human Dopamine receptor D3 expressed in CHO-K1 cells.


J Med Chem 38: 3132-7 (1995)


BindingDB Entry DOI: 10.7270/Q28W3C9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020503
PNG
(7-Amino-5,6,7,8-tetrahydro-naphthalen-2-ol | CHEMB...)
Show SMILES NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h2,4,6,9,12H,1,3,5,11H2
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5.10n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058230
PNG
(4-Chloro-N-[4-(2-chloro-phenyl)-piperazin-1-ylmeth...)
Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C18H19Cl2N3O/c19-15-7-5-14(6-8-15)18(24)21-13-22-9-11-23(12-10-22)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
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5.30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054076
PNG
(7-Dimethylamino-5,6,7,8-tetrahydro-naphthalen-2-ol...)
Show SMILES CN(C)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C12H17NO/c1-13(2)11-5-3-9-4-6-12(14)8-10(9)7-11/h4,6,8,11,14H,3,5,7H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058233
PNG
(4-Chloro-N-[4-(2-cyano-phenyl)-piperazin-1-ylmethy...)
Show SMILES Clc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C19H19ClN4O/c20-17-7-5-15(6-8-17)19(25)22-14-23-9-11-24(12-10-23)18-4-2-1-3-16(18)13-21/h1-8H,9-12,14H2,(H,22,25)
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5.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020221
PNG
((-)-5-hydroxy-2-(dipropylamino)tetralin | (-)-6-(d...)
Show SMILES CCCN(CCC)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound is the ability to displace [3H]-N-0437 from human Dopamine receptor D2 expressed in CHO-K1 cells


J Med Chem 38: 3132-7 (1995)


BindingDB Entry DOI: 10.7270/Q28W3C9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115277
PNG
((2R,3R)-6-Dipropylamino-5,6,7,8-tetrahydro-naphtha...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(O)cccc2C1 |r|
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m0/s1
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6n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
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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6.5n/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))
BDBM50058234
PNG
(CHEMBL300956 | N-[4-(2-Cyano-phenyl)-piperazin-1-y...)
Show SMILES Cc1ccc(cc1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-6-8-17(9-7-16)20(25)22-15-23-10-12-24(13-11-23)19-5-3-2-4-18(19)14-21/h2-9H,10-13,15H2,1H3,(H,22,25)
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6.5n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50058232
PNG
(CHEMBL296506 | N-[4-(2-Methoxy-phenyl)-piperazin-1...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)20(24)21-15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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6.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50052530
PNG
(5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-...)
Show SMILES Nc1ccc(cn1)C#CCCN1CCC(=CC1)c1ccccc1 |c:15|
Show InChI InChI=1S/C20H21N3/c21-20-10-9-17(16-22-20)6-4-5-13-23-14-11-19(12-15-23)18-7-2-1-3-8-18/h1-3,7-11,16H,5,12-15H2,(H2,21,22)
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7n/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))
BDBM50058222
PNG
(CHEMBL51023 | N-[4-(2-Methoxy-phenyl)-piperazin-1-...)
Show SMILES COc1ccccc1N1CCN(CNC(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-7-9-17(10-8-16)20(24)21-15-22-11-13-23(14-12-22)18-5-3-4-6-19(18)25-2/h3-10H,11-15H2,1-2H3,(H,21,24)
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7.70n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
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