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Compile Data Set for Download or QSAR

Found 925 hits of ic50 for UniProtKB: P18901   
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)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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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n/an/a 0.280n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit [3H]haloperidol binding to dopamine receptor in rat striatal homogenate


J Med Chem 28: 1811-7 (1985)


BindingDB Entry DOI: 10.7270/Q2KW5J7H
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM79172
PNG
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)
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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n/an/a 0.300n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vivo binding affinity of the compound against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]-SCH-23,390 as radioligand


Bioorg Med Chem Lett 13: 4015-7 (2003)


BindingDB Entry DOI: 10.7270/Q27M07BC
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50020220
PNG
(3-Dipropylamino-chroman-8-ol | CHEMBL38428)
Show SMILES CCCN(CCC)C1COc2c(O)cccc2C1
Show InChI InChI=1S/C15H23NO2/c1-3-8-16(9-4-2)13-10-12-6-5-7-14(17)15(12)18-11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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n/an/a 0.320n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro affinity to dopamine receptor using [3H]NPAD as radioligand in rat striatal membranes


J Med Chem 31: 688-91 (1988)


BindingDB Entry DOI: 10.7270/Q2KD2140
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029385
PNG
((4R,5R)-8-Chloro-3,4,5-trimethyl-5-phenyl-2,3,4,5-...)
Show SMILES C[C@H]1N(C)CCc2cc(Cl)c(O)cc2[C@@]1(C)c1ccccc1
Show InChI InChI=1S/C19H22ClNO/c1-13-19(2,15-7-5-4-6-8-15)16-12-18(22)17(20)11-14(16)9-10-21(13)3/h4-8,11-13,22H,9-10H2,1-3H3/t13-,19-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.


J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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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n/an/a 0.400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor in rat striatal membrane using [3H]haloperidol


J Med Chem 29: 1628-37 (1986)


BindingDB Entry DOI: 10.7270/Q2319TVF
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50334150
PNG
(1-(1-(4,4-bis(4-fluorophenyl)butyl)piperidin-4-yl)...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.


J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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n/an/a 0.570n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D1 by using [3H]-SCH-23,390 as radioligand


J Med Chem 38: 318-27 (1995)


BindingDB Entry DOI: 10.7270/Q2057DZH
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225369
PNG
(CHEMBL295712)
Show SMILES Fc1ccc(cc1)N(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H30F2N4O/c29-22-7-11-24(12-8-22)33(25-13-9-23(30)10-14-25)18-4-17-32-19-15-28(16-20-32)27(35)31-21-34(28)26-5-2-1-3-6-26/h1-3,5-14H,4,15-21H2,(H,31,35)
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n/an/a 0.610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]haloperidol binding to dopamine receptors in rat striatal membranes.


J Med Chem 28: 606-12 (1985)


BindingDB Entry DOI: 10.7270/Q2TB193Z
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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Article
PubMed
n/an/a 0.660n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029378
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(23)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 0.680n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029370
PNG
(4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2N2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-6-16(23)7-5-15)18-9-8-17(24)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 0.710n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029370
PNG
(4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(F)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26F2N2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-6-16(23)7-5-15)18-9-8-17(24)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 0.710n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029387
PNG
(4-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-1,2,2-trim...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccsc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H25ClN2S/c1-20(2)13-23(8-7-22(20)3)19-11-17(14-6-9-24-12-14)16-5-4-15(21)10-18(16)19/h4-6,9-10,12,17,19H,7-8,11,13H2,1-3H3
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n/an/a 0.760n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029375
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isop...)
Show SMILES CC(C)N1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2/c1-16(2)28-12-11-27(15-24(28,3)4)23-14-21(17-5-8-19(26)9-6-17)20-10-7-18(25)13-22(20)23/h5-10,13,16,21,23H,11-12,14-15H2,1-4H3
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n/an/a 0.820n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029375
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1-isop...)
Show SMILES CC(C)N1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2/c1-16(2)28-12-11-27(15-24(28,3)4)23-14-21(17-5-8-19(26)9-6-17)20-10-7-18(25)13-22(20)23/h5-10,13,16,21,23H,11-12,14-15H2,1-4H3
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n/an/a 0.820n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029377
PNG
(1-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-3,3-dimeth...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccsc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3
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n/an/a 0.840n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029382
PNG
(9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6-meth...)
Show SMILES CN1CCN(CC11CCCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H28ClFN2/c1-27-12-13-28(16-24(27)10-2-3-11-24)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23H,2-3,10-13,15-16H2,1H3
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n/an/a 0.850n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029395
PNG
(8-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-5-meth...)
Show SMILES CN1CCN(CC11CCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H26ClFN2/c1-26-11-12-27(15-23(26)9-2-10-23)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22H,2,9-12,14-15H2,1H3
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n/an/a 0.890n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50007518
PNG
((S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)me...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(Cl)c1OC
Show InChI InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations.


J Med Chem 29: 61-9 (1986)


BindingDB Entry DOI: 10.7270/Q2SF2ZCH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029383
PNG
(2-{9-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-6,9...)
Show SMILES OCCN1CCN(CC11CCCC1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C25H30ClFN2O/c26-19-5-8-21-22(18-3-6-20(27)7-4-18)16-24(23(21)15-19)28-11-12-29(13-14-30)25(17-28)9-1-2-10-25/h3-8,15,22,24,30H,1-2,9-14,16-17H2
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029384
PNG
(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2...)
Show SMILES CC1(C)CN(CCN1CCO)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H28ClFN2O/c1-23(2)15-26(9-10-27(23)11-12-28)22-14-20(16-3-6-18(25)7-4-16)19-8-5-17(24)13-21(19)22/h3-8,13,20,22,28H,9-12,14-15H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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n/an/a 1n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of [3H]- #NAME? from binding Dopamine receptor D1 in rat striatum


J Med Chem 33: 1756-64 (1990)


BindingDB Entry DOI: 10.7270/Q23X877X
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]apomorphine binding to calf caudate membrane preparation (p4)


J Med Chem 24: 1440-5 (1981)


BindingDB Entry DOI: 10.7270/Q2QV3PQK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
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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n/an/a 1.01n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for its affinity towards Dopamine receptor D1 in rat striatal membrane


J Med Chem 37: 2453-60 (1994)


BindingDB Entry DOI: 10.7270/Q2KS6QKD
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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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TBA

Curated by ChEMBL


Assay Description
Dopaminergic activity assessed in vitro for displacement of [3H]apomorphine from specific binding sites on rat striatal membranes


J Med Chem 27: 1607-13 (1984)


BindingDB Entry DOI: 10.7270/Q2SJ1NT8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50029400
PNG
(3-{4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-2,2...)
Show SMILES CC1(C)CN(CCN1CCCO)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C24H30ClFN2O/c1-24(2)16-27(11-12-28(24)10-3-13-29)23-15-21(17-4-7-19(26)8-5-17)20-9-6-18(25)14-22(20)23/h4-9,14,21,23,29H,3,10-13,15-16H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50012961
PNG
((-)-(S)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-hydro...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(I)ccc1OC
Show InChI InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
In vivo binding affinity of the compound against dopamine (D1) receptor in rat caudate-putamen tissue using [3H]-SCH-23,390 as radioligand


Bioorg Med Chem Lett 13: 4015-7 (2003)


BindingDB Entry DOI: 10.7270/Q27M07BC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to displace [3H]-SCH- 23390 (0.2 nM) from corpus striatum of rat Dopamine receptor D1


J Med Chem 46: 265-83 (2003)


Article DOI: 10.1021/jm020938y
BindingDB Entry DOI: 10.7270/Q2TB17MV
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50007567
PNG
(1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-y...)
Show SMILES CN1CCN(CC1)[C@@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [3H]-SCH- 23390 to Dopamine receptor D1 in rat striatal membranes


J Med Chem 34: 2023-30 (1991)


BindingDB Entry DOI: 10.7270/Q2KD1WVC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029378
PNG
(4-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26ClFN2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(23)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
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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n/an/a 1.30n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Dopamine receptor D1 by [3H]-SCH-23,390 displacement.


J Med Chem 33: 600-7 (1990)


BindingDB Entry DOI: 10.7270/Q2XS5TCP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029377
PNG
(1-(6-Chloro-3-thiophen-3-yl-indan-1-yl)-3,3-dimeth...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccsc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2S/c1-19(2)12-22(7-6-21-19)18-10-16(13-5-8-23-11-13)15-4-3-14(20)9-17(15)18/h3-5,8-9,11,16,18,21H,6-7,10,12H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for half-maximal displacement of 1.0 nM [3H]ADTN specific binding from rat striatal membranes using 10E-5 sulpiride


J Med Chem 25: 363-8 (1982)


BindingDB Entry DOI: 10.7270/Q2J67K44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50029408
PNG
(4-[3-(4-Fluoro-phenyl)-6-trifluoromethyl-indan-1-y...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(cc12)C(F)(F)F)c1ccc(F)cc1
Show InChI InChI=1S/C23H26F4N2/c1-22(2)14-29(11-10-28(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(12-20(18)21)23(25,26)27/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 1.5n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225774
PNG
(CHEMBL161122)
Show SMILES [H][C@@]1(CNC(=O)c2c(O)c(CC)cc(F)c2OC)CCCN1CC
Show InChI InChI=1S/C17H25FN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations.


J Med Chem 29: 61-9 (1986)


BindingDB Entry DOI: 10.7270/Q2SF2ZCH
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029369
PNG
(4-(6-Chloro-3-phenyl-indan-1-yl)-1,2,2-trimethyl-p...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Cl)cc12)c1ccccc1
Show InChI InChI=1S/C22H27ClN2/c1-22(2)15-25(12-11-24(22)3)21-14-19(16-7-5-4-6-8-16)18-10-9-17(23)13-20(18)21/h4-10,13,19,21H,11-12,14-15H2,1-3H3
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n/an/a 1.60n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r|
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]apomorphine binding to dopamine receptor of rat corpus striatum


J Med Chem 26: 1112-6 (1983)


BindingDB Entry DOI: 10.7270/Q29G5Q18
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM81195
PNG
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES NC1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration for half-maximal displacement of 1.0 nM [3H]ADTN specific binding from rat striatal membranes using 10E-5 sulpiride


J Med Chem 25: 363-8 (1982)


BindingDB Entry DOI: 10.7270/Q2J67K44
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029390
PNG
(4-[6-Bromo-3-(4-fluoro-phenyl)-indan-1-yl]-1,2,2-t...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(Br)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C22H26BrFN2/c1-22(2)14-26(11-10-25(22)3)21-13-19(15-4-7-17(24)8-5-15)18-9-6-16(23)12-20(18)21/h4-9,12,19,21H,10-11,13-14H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-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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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration half-maximal displacement of 1.0 nM [3H]NPA specific binding from rat striatal membranes using 10e-5 (+/-)ADTN


J Med Chem 25: 363-8 (1982)


BindingDB Entry DOI: 10.7270/Q2J67K44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50026051
PNG
(3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-h...)
Show SMILES CCN1CCC[C@H]1CNC(=O)c1c(O)c(CC)cc(CC)c1OC
Show InChI InChI=1S/C19H30N2O3/c1-5-13-11-14(6-2)18(24-4)16(17(13)22)19(23)20-12-15-9-8-10-21(15)7-3/h11,15,22H,5-10,12H2,1-4H3,(H,20,23)/t15-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antidopamine activity in vitro by ability to displace [3H]spiperone from rat brain striatal preparations.


J Med Chem 29: 61-9 (1986)


BindingDB Entry DOI: 10.7270/Q2SF2ZCH
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50225247
PNG
(CHEMBL44558)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1OCCN2c1ccccc1)c34
Show InChI InChI=1S/C19H18N2O/c1-2-5-14(6-3-1)21-9-10-22-19-15-7-4-8-16-18(15)13(12-20-16)11-17(19)21/h1-8,12,17,19-20H,9-11H2/t17-,19?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dopaminergic activity assessed in vitro for displacement of [3H]apomorphine from specific binding sites on rat striatal membranes


J Med Chem 27: 1607-13 (1984)


BindingDB Entry DOI: 10.7270/Q2SJ1NT8
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50224790
PNG
(CHEMBL333794)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])OCCN2CC
Show InChI InChI=1S/C15H18N2O/c1-2-17-6-7-18-15-11-4-3-5-12-14(11)10(9-16-12)8-13(15)17/h3-5,9,13,15-16H,2,6-8H2,1H3/t13-,15-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
In vitro affinity for dopamine receptor by displacement of [3H]- apomorphine in rat striatal membranes


J Med Chem 26: 363-7 (1983)


BindingDB Entry DOI: 10.7270/Q2BG2R63
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50366495
PNG
((+)butaclamol | CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r|
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-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Concentration inhibiting the specific binding of [3H]spiroperidol by 50%


J Med Chem 27: 165-75 (1984)


BindingDB Entry DOI: 10.7270/Q24T6MMX
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration half-maximal displacement of 1.0 nM [3H]NPA specific binding from rat striatal membranes using 10e-5 (+/-)ADTN


J Med Chem 25: 363-8 (1982)


BindingDB Entry DOI: 10.7270/Q2J67K44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50029393
PNG
(4-[3-(4-Fluoro-phenyl)-6-methyl-indan-1-yl]-1,2,2-...)
Show SMILES CN1CCN(CC1(C)C)C1CC(c2ccc(C)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2/c1-16-5-10-19-20(17-6-8-18(24)9-7-17)14-22(21(19)13-16)26-12-11-25(4)23(2,3)15-26/h5-10,13,20,22H,11-12,14-15H2,1-4H3
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n/an/a 2.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029371
PNG
(1-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-3,3-di...)
Show SMILES CC1(C)CN(CCN1)C1CC(c2ccc(Cl)cc12)c1ccc(F)cc1
Show InChI InChI=1S/C21H24ClFN2/c1-21(2)13-25(10-9-24-21)20-12-18(14-3-6-16(23)7-4-14)17-8-5-15(22)11-19(17)20/h3-8,11,18,20,24H,9-10,12-13H2,1-2H3
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n/an/a 2.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50029394
PNG
(2-[6-Chloro-3-(4-fluoro-phenyl)-indan-1-yl]-octahy...)
Show SMILES Fc1ccc(cc1)C1CC(N2CCN3CCCCC3C2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H26ClFN2/c24-17-6-9-20-21(16-4-7-18(25)8-5-16)14-23(22(20)13-17)27-12-11-26-10-2-1-3-19(26)15-27/h4-9,13,19,21,23H,1-3,10-12,14-15H2
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n/an/a 2.10n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.


J Med Chem 38: 4380-92 (1995)


BindingDB Entry DOI: 10.7270/Q28C9V87
More data for this
Ligand-Target Pair
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