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Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'george' and Initial = 'sr'   
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


(Rattus norvegicus (rat))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010301
PNG
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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0.300n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50010301
PNG
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C17H18BrNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3
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0.400n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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0.440n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human dopamine D3 receptor expressed in human HEK293 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336860
PNG
(CHEMBL1672309 | N-propyl-2-fluoropropanoxy-11-mono...)
Show SMILES CCCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C22H26FNO2/c1-2-9-24-10-7-16-12-17(26-11-4-8-23)14-18-21(16)19(24)13-15-5-3-6-20(25)22(15)18/h3,5-6,12,14,19,25H,2,4,7-11,13H2,1H3/t19-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336863
PNG
((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...)
Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C20H22FNO2/c1-2-22-8-6-14-10-15(24-9-7-21)12-16-19(14)17(22)11-13-4-3-5-18(23)20(13)16/h3-5,10,12,17,23H,2,6-9,11H2,1H3/t17-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010692
PNG
((R)-(-)-2-methoxy-N-npropylnorapomorphine | (R)-2-...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
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1.02n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human dopamine D3 receptor expressed in human HEK293 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50336852
PNG
((R)-2-(3-fluoropropoxy)-6-propyl-5,6,6a,7-tetrahyd...)
Show SMILES CCCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C22H26FNO3/c1-2-8-24-9-6-15-11-16(27-10-3-7-23)13-17-20(15)18(24)12-14-4-5-19(25)22(26)21(14)17/h4-5,11,13,18,25-26H,2-3,6-10,12H2,1H3/t18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336864
PNG
((R)-2-(2-fluoroethoxy)-6-methyl-5,6,6a,7-tetrahydr...)
Show SMILES CN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C19H20FNO2/c1-21-7-5-13-9-14(23-8-6-20)11-15-18(13)16(21)10-12-3-2-4-17(22)19(12)15/h2-4,9,11,16,22H,5-8,10H2,1H3/t16-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine 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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1.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50336853
PNG
((R)-2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydr...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO3/c1-2-7-23-8-5-14-10-15(26-9-6-22)12-16-19(14)17(23)11-13-3-4-18(24)21(25)20(13)16/h3-4,10,12,17,24-25H,2,5-9,11H2,1H3/t17-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336859
PNG
((R)-2-(2-fluoroethoxy)-6-methyl-5,6,6a,7-tetrahydr...)
Show SMILES CN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H20FNO3/c1-21-6-4-12-8-13(24-7-5-20)10-14-17(12)15(21)9-11-2-3-16(22)19(23)18(11)14/h2-3,8,10,15,22-23H,4-7,9H2,1H3/t15-/m1/s1
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2n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336855
PNG
((R)-6-ethyl-2-(2-fluoroethoxy)-5,6,6a,7-tetrahydro...)
Show SMILES CCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C20H22FNO3/c1-2-22-7-5-13-9-14(25-8-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
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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2.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human cloned dopamine D3 receptor expressed in mouse CCL1-3 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50013061
PNG
((R)-2-fluoro-6-propyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCCN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H20FNO2/c1-2-6-21-7-5-12-8-13(20)10-14-17(12)15(21)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,22-23H,2,5-7,9H2,1H3/t15-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336862
PNG
(CHEMBL1672311 | N-ethyl-2-fluoropropanoxy-11-monoh...)
Show SMILES CCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-23-9-7-15-11-16(25-10-4-8-22)13-17-20(15)18(23)12-14-5-3-6-19(24)21(14)17/h3,5-6,11,13,18,24H,2,4,7-10,12H2,1H3/t18-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM81801
PNG
(CAS_5283121 | LTC4 | NSC_5283121)
Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O |w:5.4,8.7,10.9,12.11|
Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)
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3.35n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




J Biol Chem 275: 30531-6 (2000)


Article DOI: 10.1074/jbc.M003490200
BindingDB Entry DOI: 10.7270/Q2BP01BH
More data for this
Ligand-Target Pair
Leukotriene B4 receptor 2


(Homo sapiens (Human))
BDBM50292408
PNG
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)
Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r|
Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1
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3.48n/an/an/an/an/an/an/an/a



University of Virginia

Curated by PDSP Ki Database




J Biol Chem 275: 30531-6 (2000)


Article DOI: 10.1074/jbc.M003490200
BindingDB Entry DOI: 10.7270/Q2BP01BH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336861
PNG
(CHEMBL1672310 | N-propyl-2-fluoroethoxy-11-monohyd...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-8-23-9-6-15-11-16(25-10-7-22)13-17-20(15)18(23)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,24H,2,6-10,12H2,1H3/t18-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336853
PNG
((R)-2-(2-fluoroethoxy)-6-propyl-5,6,6a,7-tetrahydr...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO3/c1-2-7-23-8-5-14-10-15(26-9-6-22)12-16-19(14)17(23)11-13-3-4-18(24)21(25)20(13)16/h3-4,10,12,17,24-25H,2,5-9,11H2,1H3/t17-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50013061
PNG
((R)-2-fluoro-6-propyl-5,6,6a,7-tetrahydro-4H-diben...)
Show SMILES CCCN1CCc2cc(F)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C19H20FNO2/c1-2-6-21-7-5-12-8-13(20)10-14-17(12)15(21)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,22-23H,2,5-7,9H2,1H3/t15-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from human cloned dopamine D3 receptor high binding site expressed in mouse CCL1-3 cells by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50026957
PNG
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)
Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
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4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) 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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4.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM84636
PNG
(CHEMBL27559 | NPA-11-OH-R,(+))
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C19H21NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h3-8,16,21H,2,9-12H2,1H3/t16-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50010692
PNG
((R)-(-)-2-methoxy-N-npropylnorapomorphine | (R)-2-...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336854
PNG
(CHEMBL1672305 | N-ethyl-2-fluoropropanoxy catechol...)
Show SMILES CCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO3/c1-2-23-8-6-14-10-15(26-9-3-7-22)12-16-19(14)17(23)11-13-4-5-18(24)21(25)20(13)16/h4-5,10,12,17,24-25H,2-3,6-9,11H2,1H3/t17-/m1/s1
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6.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336857
PNG
(11-hydroxy-N-(3-fluoropropyl)aporphine | CHEMBL167...)
Show SMILES Oc1cccc2C[C@H]3N(CCCF)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C19H20FNO/c20-9-3-10-21-11-8-13-4-1-6-15-18(13)16(21)12-14-5-2-7-17(22)19(14)15/h1-2,4-7,16,22H,3,8-12H2/t16-/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50026957
PNG
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)
Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
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8n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010692
PNG
((R)-(-)-2-methoxy-N-npropylnorapomorphine | (R)-2-...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C20H23NO3/c1-3-7-21-8-6-13-9-14(24-2)11-15-18(13)16(21)10-12-4-5-17(22)20(23)19(12)15/h4-5,9,11,16,22-23H,3,6-8,10H2,1-2H3/t16-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D1 receptor high binding site by radioligand displacement assay


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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14n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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15n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336856
PNG
((R)-(-)-N-propyl-2-methoxy-11-hydroxynoraporphine ...)
Show SMILES CCCN1CCc2cc(OC)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C20H23NO2/c1-3-8-21-9-7-14-10-15(23-2)12-16-19(14)17(21)11-13-5-4-6-18(22)20(13)16/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1
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20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM78433
PNG
(2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]pro...)
Show SMILES OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
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21n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) 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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27n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50008735
PNG
((+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,...)
Show SMILES CC(C)(C)[C@]1(O)CCN2C[C@H]3c4ccccc4CCc4cccc([C@@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1
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27n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM60917
PNG
(9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro...)
Show SMILES Oc1ccc(cc1)C1CNCCc2c(Cl)c(O)c(O)cc12
Show InChI InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2
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28n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336852
PNG
((R)-2-(3-fluoropropoxy)-6-propyl-5,6,6a,7-tetrahyd...)
Show SMILES CCCN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C22H26FNO3/c1-2-8-24-9-6-15-11-16(27-10-3-7-23)13-17-20(15)18(24)12-14-4-5-19(25)22(26)21(14)17/h4-5,11,13,18,25-26H,2-3,6-10,12H2,1H3/t18-/m1/s1
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28n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336858
PNG
(2-fluoropropanoxy catechol aporphine | CHEMBL16723...)
Show SMILES CN1CCc2cc(OCCCF)cc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C20H22FNO3/c1-22-7-5-13-9-14(25-8-2-6-21)11-15-18(13)16(22)10-12-3-4-17(23)20(24)19(12)15/h3-4,9,11,16,23-24H,2,5-8,10H2,1H3/t16-/m1/s1
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31n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]domperidone from dopamine D2 receptor high binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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33.6n/an/an/an/an/an/an/an/a



The Centre for Addiction and Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 59: 427-33 (2001)


Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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35n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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41n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(1B) 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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48n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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50.2n/an/an/an/an/an/an/an/a



The Centre for Addiction and Mental Health

Curated by PDSP Ki Database




Mol Pharmacol 59: 427-33 (2001)


Article DOI: 10.1124/mol.59.3.427
BindingDB Entry DOI: 10.7270/Q22Z1438
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007422
PNG
((+)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]q...)
Show SMILES CCCN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m1/s1
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54n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50336861
PNG
(CHEMBL1672310 | N-propyl-2-fluoroethoxy-11-monohyd...)
Show SMILES CCCN1CCc2cc(OCCF)cc-3c2[C@H]1Cc1cccc(O)c-31 |r|
Show InChI InChI=1S/C21H24FNO2/c1-2-8-23-9-6-15-11-16(25-10-7-22)13-17-20(15)18(23)12-14-4-3-5-19(24)21(14)17/h3-5,11,13,18,24H,2,6-10,12H2,1H3/t18-/m1/s1
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56n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprague-Dawley rat striatum by scintillation counting


ACS Med Chem Lett 2: 189-194 (2011)


Article DOI: 10.1021/ml1001689
BindingDB Entry DOI: 10.7270/Q2Z89DF8
More data for this
Ligand-Target Pair
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