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13 similar compounds to monomer 50004793

Compile data set for download or QSAR
Wt: 388.2
BDBM86265
Wt: 388.2
BDBM86281
Wt: 318.2
BDBM50004797
Wt: 374.2
BDBM50004919
Purchase
Wt: 374.2
BDBM50004921
Purchase
Wt: 374.2
BDBM50004922
Wt: 347.2
BDBM50010290
Wt: 332.2
BDBM50010301
Purchase
Wt: 332.2
BDBM50016792
Purchase
Wt: 417.3
BDBM50029347
Wt: 390.2
BDBM50025696
Wt: 434.3
BDBM50052732
Wt: 332.2
BDBM50368313
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 45 hits for monomerid = 86265,86281,50004797,50004919,50004921,50004922,50010290,50010301,50016792,50029347,50025696,50052732,50368313   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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))
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



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


Article DOI: 10.1021/jm00115a012
BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Dopamine D5 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(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50368313
PNG
(CHEMBL1744079)
Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](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/t15-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


Article DOI: 10.1021/jm00079a008
BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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2.29n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50010290
PNG
(5-(4-Amino-phenyl)-8-bromo-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(N)cc1
Show InChI InChI=1S/C17H19BrN2O/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10,19H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


Article DOI: 10.1021/jm00115a012
BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D1


J Med Chem 41: 4385-99 (1998)


Article DOI: 10.1021/jm9800292
BindingDB Entry DOI: 10.7270/Q2R21227
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004797
PNG
(8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C16H16BrNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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4.10n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH- 23390 binding to Dopamine receptor D1 from canine striatum


J Med Chem 35: 67-72 (1992)


Article DOI: 10.1021/jm00079a008
BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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5n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the dissociation constant for inhibiting the binding of [3H]-SCH- 23390 at dopamine receptor D1


J Med Chem 34: 3366-71 (1992)


Article DOI: 10.1021/jm00116a004
BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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19n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards Dopamine receptor D2 at low affinity state


J Med Chem 34: 3366-71 (1992)


Article DOI: 10.1021/jm00116a004
BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86265
PNG
(MCL-215)
Show SMILES Cc1ccccc1C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-7-5-4-6-13(14)2/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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37.1n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86265
PNG
(MCL-215)
Show SMILES Cc1ccccc1C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-7-5-4-6-13(14)2/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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41.5n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM86281
PNG
(MCL-213)
Show SMILES Cc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-13(2)5-7-14/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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128n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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209n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50052732
PNG
(8-Bromo-5-phenyl-3-((E)-3-phenyl-allyl)-2,3,4,5-te...)
Show SMILES Oc1cc2C(CN(C\C=C\c3ccccc3)CCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C25H24BrNO/c26-24-16-21-13-15-27(14-7-10-19-8-3-1-4-9-19)18-23(22(21)17-25(24)28)20-11-5-2-6-12-20/h1-12,16-17,23,28H,13-15,18H2/b10-7+
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209n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Affinity for dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3423-8 (1996)


Article DOI: 10.1021/jm960143p
BindingDB Entry DOI: 10.7270/Q26D5S3C
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86265
PNG
(MCL-215)
Show SMILES Cc1ccccc1C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-7-5-4-6-13(14)2/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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239n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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350n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2


J Med Chem 41: 4385-99 (1998)


Article DOI: 10.1021/jm9800292
BindingDB Entry DOI: 10.7270/Q2R21227
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM86281
PNG
(MCL-213)
Show SMILES Cc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-13(2)5-7-14/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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385n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86265
PNG
(MCL-215)
Show SMILES Cc1ccccc1C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-7-5-4-6-13(14)2/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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414n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86265
PNG
(MCL-215)
Show SMILES Cc1ccccc1C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-7-5-4-6-13(14)2/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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742n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM86281
PNG
(MCL-213)
Show SMILES Cc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-13(2)5-7-14/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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977n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
HTR5A


(RAT)
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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1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 90: 3452-6 (1993)


Article DOI: 10.1073/pnas.90.8.3452
BindingDB Entry DOI: 10.7270/Q21C1VCC
More data for this
Ligand-Target Pair
5-HT5B


(RAT)
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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1.00E+3n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 90: 3452-6 (1993)


Article DOI: 10.1073/pnas.90.8.3452
BindingDB Entry DOI: 10.7270/Q21C1VCC
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM86281
PNG
(MCL-213)
Show SMILES Cc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-13(2)5-7-14/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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1.09E+3n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
D(2) 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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1.36E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


Article DOI: 10.1021/jm00115a012
BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50029347
PNG
(8-Bromo-3-(4-dimethylamino-butyl)-5-phenyl-2,3,4,5...)
Show SMILES CN(C)CCCCN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C22H29BrN2O/c1-24(2)11-6-7-12-25-13-10-18-14-21(23)22(26)15-19(18)20(16-25)17-8-4-3-5-9-17/h3-5,8-9,14-15,20,26H,6-7,10-13,16H2,1-2H3
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1.49E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1 from rat striatal membranes using [3H]-SCH- 23390 as radioligand.


J Med Chem 38: 4284-93 (1995)


Article DOI: 10.1021/jm00021a018
BindingDB Entry DOI: 10.7270/Q27D2VSB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010290
PNG
(5-(4-Amino-phenyl)-8-bromo-3-methyl-2,3,4,5-tetrah...)
Show SMILES CN1CCc2cc(Br)c(O)cc2C(C1)c1ccc(N)cc1
Show InChI InChI=1S/C17H19BrN2O/c1-20-7-6-12-8-16(18)17(21)9-14(12)15(10-20)11-2-4-13(19)5-3-11/h2-5,8-9,15,21H,6-7,10,19H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey


J Med Chem 34: 3235-41 (1991)


Article DOI: 10.1021/jm00115a012
BindingDB Entry DOI: 10.7270/Q2KS6S5V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM86281
PNG
(MCL-213)
Show SMILES Cc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-13(2)5-7-14/h3-7,11,17,23-24H,1,8-10,12H2,2H3
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1.71E+3n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




Eur J Pharmacol 474: 137-40 (2003)


BindingDB Entry DOI: 10.7270/Q2DN43MQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004797
PNG
(8-Bromo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]aze...)
Show SMILES Oc1cc2C(CNCCc2cc1Br)c1ccccc1
Show InChI InChI=1S/C16H16BrNO/c17-15-8-12-6-7-18-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,18-19H,6-7,10H2
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5.76E+3n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2


J Med Chem 35: 67-72 (1992)


Article DOI: 10.1021/jm00079a008
BindingDB Entry DOI: 10.7270/Q2P84CHC
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50029347
PNG
(8-Bromo-3-(4-dimethylamino-butyl)-5-phenyl-2,3,4,5...)
Show SMILES CN(C)CCCCN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Show InChI InChI=1S/C22H29BrN2O/c1-24(2)11-6-7-12-25-13-10-18-14-21(23)22(26)15-19(18)20(16-25)17-8-4-3-5-9-17/h3-5,8-9,14-15,20,26H,6-7,10-13,16H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from rat striatal membranes, using [3H]sulpiride as radioligand.


J Med Chem 38: 4284-93 (1995)


Article DOI: 10.1021/jm00021a018
BindingDB Entry DOI: 10.7270/Q27D2VSB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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2.10E+4n/an/an/an/an/an/an/an/a



Northeastern University

Curated by ChEMBL


Assay Description
The compound was evaluated for the binding affinity towards dopamine receptor D2 at low affinity state.


J Med Chem 34: 3366-71 (1992)


Article DOI: 10.1021/jm00116a004
BindingDB Entry DOI: 10.7270/Q26H4J17
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


Article DOI: 10.1021/jm00086a016
BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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n/an/a 701n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


Article DOI: 10.1021/jm00086a016
BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/a 511n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-YM-09151-2 (60 pm) from dopamine receptor D2 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


Article DOI: 10.1021/jm00086a016
BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/an/a 384n/an/an/an/an/a



VA Medical Center

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant against recombinant Dopamine receptor D1A expressed in COS7 cells


J Med Chem 39: 850-9 (1996)


Article DOI: 10.1021/jm950447w
BindingDB Entry DOI: 10.7270/Q2XG9RT3
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/an/a 480n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004922
PNG
(3-Allyl-6-bromo-1-phenyl-2,3,4,5-tetrahydro-1H-ben...)
Show SMILES Oc1cc2C(CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
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n/an/a 10n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


Article DOI: 10.1021/jm00086a016
BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


Article DOI: 10.1021/jm00086a016
BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50016792
PNG
(8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-be...)
Show SMILES CN1CCc2cc(Br)c(O)cc2[C@H](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/t15-/m1/s1
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n/an/an/a 2.30n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the binding affinity to the rat striatal homogenate.


J Med Chem 32: 1431-5 (1989)


Article DOI: 10.1021/jm00127a005
BindingDB Entry DOI: 10.7270/Q2KD1WWT
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50004919
PNG
((R)(+)-BrAPB | CHEMBL286424 | S-(-)-6-Br-APD3-Ally...)
Show SMILES Oc1cc2[C@@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m0/s1
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n/an/a 1.88E+3n/an/an/an/an/an/a



Research Biochemicals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-SCH- 23390 (0.3 nM) from dopamine receptor D1 in crude membrane fraction of rat brain corpus striatum


J Med Chem 35: 1466-71 (1992)


Article DOI: 10.1021/jm00086a016
BindingDB Entry DOI: 10.7270/Q26H4GCW
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50025696
PNG
(3-Allyl-6-bromo-1-(4-hydroxy-phenyl)-2,3,4,5-tetra...)
Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C19H20BrNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2
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n/an/an/an/a 50n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine agonist (Dopamine receptor D1) activity was measured as increase in cAMP formation relative to maximum increase in dopamine-sensitive adenyl...


J Med Chem 30: 35-40 (1987)


Article DOI: 10.1021/jm00384a006
BindingDB Entry DOI: 10.7270/Q2X92BV6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50025696
PNG
(3-Allyl-6-bromo-1-(4-hydroxy-phenyl)-2,3,4,5-tetra...)
Show SMILES Oc1ccc(cc1)C1CN(CC=C)CCc2c(Br)c(O)c(O)cc12
Show InChI InChI=1S/C19H20BrNO3/c1-2-8-21-9-7-14-15(10-17(23)19(24)18(14)20)16(11-21)12-3-5-13(22)6-4-12/h2-6,10,16,22-24H,1,7-9,11H2
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n/an/an/an/a 174n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopamine receptor D2 agonist activity was determined for inhibition of the constrictor response to electrical stimulation in an isolated perfused rab...


J Med Chem 30: 35-40 (1987)


Article DOI: 10.1021/jm00384a006
BindingDB Entry DOI: 10.7270/Q2X92BV6
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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n/an/an/a 500n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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UniChem

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Article
PubMed
n/an/an/a 300n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50004921
PNG
((R)-3-Allyl-6-bromo-7,8-dihydroxy-1-phenyl-2,3,4,5...)
Show SMILES Oc1cc2[C@H](CN(CC=C)CCc2c(Br)c1O)c1ccccc1
Show InChI InChI=1S/C19H20BrNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2/t16-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/an/a 1.60E+3n/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes.


J Med Chem 43: 3005-19 (2000)


Article DOI: 10.1021/jm990526y
BindingDB Entry DOI: 10.7270/Q24J0FS2
More data for this
Ligand-Target Pair