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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'johnson' and Initial = 'sj'   
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))
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))
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 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
DRD2


(BOVINE)
BDBM50123627
PNG
((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50026553
PNG
((+)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...)
Show SMILES CCCN(CCC)C1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a



University Center for Pharmacy

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound towards Dopamine receptor D2


J Med Chem 46: 4136-40 (2003)


Article DOI: 10.1021/jm0307786
BindingDB Entry DOI: 10.7270/Q2M61JP7
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50123627
PNG
((S)-6-Dipropylamino-5,6,7,8-tetrahydro-naphthalene...)
Show SMILES CCCN(CCC)[C@H]1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C16H25NO2/c1-3-9-17(10-4-2)13-6-7-14-12(11-13)5-8-15(18)16(14)19/h5,8,13,18-19H,3-4,6-7,9-11H2,1-2H3/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080809
PNG
(7-(4-Phenyl-3,6-dihydro-2H-pyridin-1-ylmethyl)-chr...)
Show SMILES O=c1ccc2ccc(CN3CCC(=CC3)c3ccccc3)cc2o1 |c:12|
Show InChI InChI=1S/C21H19NO2/c23-21-9-8-19-7-6-16(14-20(19)24-21)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-10,14H,11-13,15H2
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4.40n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080797
PNG
(7-[(2-Phenylamino-ethylamino)-methyl]-chromen-2-on...)
Show SMILES O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1
Show InChI InChI=1S/C18H18N2O2/c21-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-20-16-4-2-1-3-5-16/h1-9,12,19-20H,10-11,13H2
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5.80n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50123625
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1
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6n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080796
PNG
(7-[4-(3-Chloro-4-methyl-phenyl)-piperazin-1-ylmeth...)
Show SMILES Cc1ccc(cc1Cl)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C21H21ClN2O2/c1-15-2-6-18(13-19(15)22)24-10-8-23(9-11-24)14-16-3-4-17-5-7-21(25)26-20(17)12-16/h2-7,12-13H,8-11,14H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity using [3H]spiperone displacement from cloned human Dopamine receptor D4.2 expressed in CHO-K1 cells


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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7.80n/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))
BDBM50071960
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H24BrCl2N3O2/c1-32-23-17-6-3-2-5-16(17)19(25)15-18(23)24(31)28-9-10-29-11-13-30(14-12-29)21-8-4-7-20(26)22(21)27/h2-8,15H,9-14H2,1H3,(H,28,31)
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8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for stimulation of mitogenesis in Dopamine receptor D3 transfected CHO p-5 cells


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080794
PNG
(7-[(2-p-Tolylamino-ethylamino)-methyl]-chromen-2-o...)
Show SMILES Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C19H20N2O2/c1-14-2-7-17(8-3-14)21-11-10-20-13-15-4-5-16-6-9-19(22)23-18(16)12-15/h2-9,12,20-21H,10-11,13H2,1H3
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10n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity using [3H]spiperone displacement from cloned human Dopamine receptor D4.2 expressed in CHO-K1 cells


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080787
PNG
(6-(4-p-Tolyl-piperazin-1-ylmethyl)-chromen-2-one |...)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
Show InChI InChI=1S/C21H22N2O2/c1-16-2-6-19(7-3-16)23-12-10-22(11-13-23)15-17-4-8-20-18(14-17)5-9-21(24)25-20/h2-9,14H,10-13,15H2,1H3
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11n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity using [3H]spiperone displacement from cloned human Dopamine receptor D4.2 expressed in CHO-K1 cells


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080798
PNG
(7-{[2-(4-Chloro-phenylamino)-ethylamino]-methyl}-c...)
Show SMILES Clc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1
Show InChI InChI=1S/C18H17ClN2O2/c19-15-4-6-16(7-5-15)21-10-9-20-12-13-1-2-14-3-8-18(22)23-17(14)11-13/h1-8,11,20-21H,9-10,12H2
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14n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080810
PNG
(7-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-c...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C22H24N2O2/c1-16-3-7-20(13-17(16)2)24-11-9-23(10-12-24)15-18-4-5-19-6-8-22(25)26-21(19)14-18/h3-8,13-14H,9-12,15H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
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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15n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080788
PNG
(7-(4-o-Tolyl-piperazin-1-ylmethyl)-chromen-2-one |...)
Show SMILES Cc1ccccc1N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C21H22N2O2/c1-16-4-2-3-5-19(16)23-12-10-22(11-13-23)15-17-6-7-18-8-9-21(24)25-20(18)14-17/h2-9,14H,10-13,15H2,1H3
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16n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080800
PNG
(7-{[2-(3-Chloro-4-methyl-phenylamino)-ethylamino]-...)
Show SMILES Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1Cl
Show InChI InChI=1S/C19H19ClN2O2/c1-13-2-6-16(11-17(13)20)22-9-8-21-12-14-3-4-15-5-7-19(23)24-18(15)10-14/h2-7,10-11,21-22H,8-9,12H2,1H3
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16n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080790
PNG
(7-(4-p-Tolyl-piperazin-1-ylmethyl)-chromen-2-one |...)
Show SMILES Cc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C21H22N2O2/c1-16-2-7-19(8-3-16)23-12-10-22(11-13-23)15-17-4-5-18-6-9-21(24)25-20(18)14-17/h2-9,14H,10-13,15H2,1H3
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17n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
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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17n/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
D(3) dopamine receptor


(Homo sapiens (Human))
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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17n/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))
BDBM50080786
PNG
(7-(4-Phenyl-piperidin-1-ylmethyl)-chromen-2-one | ...)
Show SMILES O=c1ccc2ccc(CN3CCC(CC3)c3ccccc3)cc2o1
Show InChI InChI=1S/C21H21NO2/c23-21-9-8-19-7-6-16(14-20(19)24-21)15-22-12-10-18(11-13-22)17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2
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19n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080806
PNG
(7-{[2-(3,4-Dimethyl-phenylamino)-ethylamino]-methy...)
Show SMILES Cc1ccc(NCCNCc2ccc3ccc(=O)oc3c2)cc1C
Show InChI InChI=1S/C20H22N2O2/c1-14-3-7-18(11-15(14)2)22-10-9-21-13-16-4-5-17-6-8-20(23)24-19(17)12-16/h3-8,11-12,21-22H,9-10,13H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287161
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26BrN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287178
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C24H25BrN4O4/c1-33-23-18-7-3-2-6-17(18)20(25)16-19(23)24(30)26-10-11-27-12-14-28(15-13-27)21-8-4-5-9-22(21)29(31)32/h2-9,16H,10-15H2,1H3,(H,26,30)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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26n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080808
PNG
(7-(4-Phenyl-piperazin-1-ylmethyl)-chromen-2-one | ...)
Show SMILES O=c1ccc2ccc(CN3CCN(CC3)c3ccccc3)cc2o1
Show InChI InChI=1S/C20H20N2O2/c23-20-9-8-17-7-6-16(14-19(17)24-20)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
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27n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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28n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080801
PNG
(6-(4-Phenyl-piperazin-1-ylmethyl)-chromen-2-one | ...)
Show SMILES O=c1ccc2cc(CN3CCN(CC3)c3ccccc3)ccc2o1
Show InChI InChI=1S/C20H20N2O2/c23-20-9-7-17-14-16(6-8-19(17)24-20)15-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
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30n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080805
PNG
(7-[(3-Phenylamino-propylamino)-methyl]-chromen-2-o...)
Show SMILES O=c1ccc2ccc(CNCCCNc3ccccc3)cc2o1
Show InChI InChI=1S/C19H20N2O2/c22-19-10-9-16-8-7-15(13-18(16)23-19)14-20-11-4-12-21-17-5-2-1-3-6-17/h1-3,5-10,13,20-21H,4,11-12,14H2
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31n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080795
PNG
(7-(4-m-Tolyl-piperazin-1-ylmethyl)-chromen-2-one |...)
Show SMILES Cc1cccc(c1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C21H22N2O2/c1-16-3-2-4-19(13-16)23-11-9-22(10-12-23)15-17-5-6-18-7-8-21(24)25-20(18)14-17/h2-8,13-14H,9-12,15H2,1H3
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32n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287176
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-18-7-3-2-6-17(18)20(25)16-19(23)24(30)27-10-11-28-12-14-29(15-13-28)22-9-5-4-8-21(22)26/h2-9,16H,10-15H2,1H3,(H,27,30)
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39n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287175
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H25BrClN3O2/c1-31-23-20-8-3-2-7-19(20)22(25)16-21(23)24(30)27-9-10-28-11-13-29(14-12-28)18-6-4-5-17(26)15-18/h2-8,15-16H,9-14H2,1H3,(H,27,30)
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080792
PNG
(7-[(2-Phenoxy-ethylamino)-methyl]-chromen-2-one | ...)
Show SMILES O=c1ccc2ccc(CNCCOc3ccccc3)cc2o1
Show InChI InChI=1S/C18H17NO3/c20-18-9-8-15-7-6-14(12-17(15)22-18)13-19-10-11-21-16-4-2-1-3-5-16/h1-9,12,19H,10-11,13H2
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43n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287163
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C26H30BrN3O2/c1-18-7-6-10-24(19(18)2)30-15-13-29(14-16-30)12-11-28-26(31)22-17-23(27)20-8-4-5-9-21(20)25(22)32-3/h4-10,17H,11-16H2,1-3H3,(H,28,31)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
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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53n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287173
PNG
(4-Chloro-1-methoxy-naphthalene-2-carboxylic acid [...)
Show SMILES COc1c(cc(Cl)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H26ClN3O2/c1-30-23-20-10-6-5-9-19(20)22(25)17-21(23)24(29)26-11-12-27-13-15-28(16-14-27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,26,29)
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55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080812
PNG
(7-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-chrom...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C20H19FN2O2/c21-17-4-6-18(7-5-17)23-11-9-22(10-12-23)14-15-1-2-16-3-8-20(24)25-19(16)13-15/h1-8,13H,9-12,14H2
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59n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080793
PNG
(6-(4-o-Tolyl-piperazin-1-ylmethyl)-chromen-2-one |...)
Show SMILES Cc1ccccc1N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
Show InChI InChI=1S/C21H22N2O2/c1-16-4-2-3-5-19(16)23-12-10-22(11-13-23)15-17-6-8-20-18(14-17)7-9-21(24)25-20/h2-9,14H,10-13,15H2,1H3
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63n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287165
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C25H28BrN3O2/c1-18-7-3-6-10-23(18)29-15-13-28(14-16-29)12-11-27-25(30)21-17-22(26)19-8-4-5-9-20(19)24(21)31-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50287179
PNG
(4-Cyano-1-methoxy-naphthalene-2-carboxylic acid [2...)
Show SMILES COc1c(cc(C#N)c2ccccc12)C(=O)NCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C25H26N4O2/c1-31-24-22-10-6-5-9-21(22)19(18-26)17-23(24)25(30)27-11-12-28-13-15-29(16-14-28)20-7-3-2-4-8-20/h2-10,17H,11-16H2,1H3,(H,27,30)
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71n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D2 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080799
PNG
(6-(4-m-Tolyl-piperazin-1-ylmethyl)-chromen-2-one |...)
Show SMILES Cc1cccc(c1)N1CCN(Cc2ccc3oc(=O)ccc3c2)CC1
Show InChI InChI=1S/C21H22N2O2/c1-16-3-2-4-19(13-16)23-11-9-22(10-12-23)15-17-5-7-20-18(14-17)6-8-21(24)25-20/h2-8,13-14H,9-12,15H2,1H3
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74n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50080804
PNG
(7-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-chro...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C21H22N2O3/c1-25-19-7-5-18(6-8-19)23-12-10-22(11-13-23)15-16-2-3-17-4-9-21(24)26-20(17)14-16/h2-9,14H,10-13,15H2,1H3
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75n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50287168
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid {2...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1
Show InChI InChI=1S/C25H28BrN3O3/c1-31-23-10-6-5-9-22(23)29-15-13-28(14-16-29)12-11-27-25(30)20-17-21(26)18-7-3-4-8-19(18)24(20)32-2/h3-10,17H,11-16H2,1-2H3,(H,27,30)
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine D3 receptors in rat striatum by [3H]-spiperone displacement.


Bioorg Med Chem Lett 6: 1361-1366 (1996)


Article DOI: 10.1016/0960-894X(96)00231-4
BindingDB Entry DOI: 10.7270/Q2PV6K9S
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
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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91n/an/an/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Tested for binding affinity towards human Dopamine receptor D4.2 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))
BDBM50080791
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-chrom...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3ccc(=O)oc3c2)CC1
Show InChI InChI=1S/C20H19ClN2O2/c21-17-4-6-18(7-5-17)23-11-9-22(10-12-23)14-15-1-2-16-3-8-20(24)25-19(16)13-15/h1-8,13H,9-12,14H2
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93n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]thymidine uptake in CHO p-5 cells transfected with human Dopamine receptor D4.2


J Med Chem 42: 3718-25 (1999)


Article DOI: 10.1021/jm990266k
BindingDB Entry DOI: 10.7270/Q2RN371G
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50123625
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1
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110n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
More data for this
Ligand-Target Pair
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