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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'lajiness' and Initial = 'me'   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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1.40n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090829
PNG
((trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa...)
Show SMILES CCCN1CCOC2C1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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1.60n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090832
PNG
((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9...)
Show SMILES CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1
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3.60n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107877
PNG
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)
Show SMILES CCCN(CCC)C1Cc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
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4.20n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50107877
PNG
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)
Show SMILES CCCN(CCC)C1Cc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
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5.10n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107867
PNG
((R)-2-Dipropylamino-indan-4-ol | (S)-2-Dipropylami...)
Show SMILES CCCN(CCC)C1Cc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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5.20n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020217
PNG
((4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-na...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CCc1ccc(O)cc21
Show InChI InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]spip as radioligand


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50092169
PNG
(CHEMBL118636 | N*7*,N*7*-Dipropyl-7,8-dihydro-6H-1...)
Show SMILES CCCN(CCC)C1Cc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3S/c1-3-7-19(8-4-2)12-9-11-5-6-14-15(13(11)10-12)20-16(17)18-14/h5-6,12H,3-4,7-10H2,1-2H3,(H2,17,18)
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11n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radio...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107870
PNG
(2-Dipropylamino-indan-5-ol | CHEMBL16409)
Show SMILES CCCN(CCC)C1Cc2ccc(O)cc2C1
Show InChI InChI=1S/C15H23NO/c1-3-7-16(8-4-2)14-9-12-5-6-15(17)11-13(12)10-14/h5-6,11,14,17H,3-4,7-10H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107874
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-3-yl...)
Show SMILES CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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18n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50107867
PNG
((R)-2-Dipropylamino-indan-4-ol | (S)-2-Dipropylami...)
Show SMILES CCCN(CCC)C1Cc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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19.5n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1A receptor


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107883
PNG
(CHEMBL142535 | [2-(4-Bromo-phenyl)-ethyl]-(5,6-dim...)
Show SMILES CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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22n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107882
PNG
((5,6-Dimethoxy-indan-2-yl)-(3-phenyl-propyl)-propy...)
Show SMILES CCCN(CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H31NO2/c1-4-12-24(13-8-11-18-9-6-5-7-10-18)21-14-19-16-22(25-2)23(26-3)17-20(19)15-21/h5-7,9-10,16-17,21H,4,8,11-15H2,1-3H3
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23n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092173
PNG
(CHEMBL325710 | N*6*,N*6*-Dipropyl-6,7-dihydro-5H-1...)
Show SMILES CCCN(CCC)C1Cc2cc3nc(N)sc3cc2C1
Show InChI InChI=1S/C16H23N3S/c1-3-5-19(6-4-2)13-7-11-9-14-15(10-12(11)8-13)20-16(17)18-14/h9-10,13H,3-8H2,1-2H3,(H2,17,18)
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27n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]NPA as radioligan...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107869
PNG
((5,6-Dimethoxy-indan-2-yl)-phenethyl-propyl-amine ...)
Show SMILES CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H29NO2/c1-4-11-23(12-10-17-8-6-5-7-9-17)20-13-18-15-21(24-2)22(25-3)16-19(18)14-20/h5-9,15-16,20H,4,10-14H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50090834
PNG
(9-Oxo-1-propyl-2,3,4a,9,10,10a-hexahydro-1H-4-oxa-...)
Show SMILES CCCN1CCOC2C1CS(=O)c1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3S/c1-2-5-15-6-7-18-14-11-8-10(16)3-4-13(11)19(17)9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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29n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D3 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107873
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(3,4-dimethoxy-pheny...)
Show SMILES CCCN(CCc1ccc(OC)c(OC)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H33NO4/c1-6-10-25(11-9-17-7-8-21(26-2)22(12-17)27-3)20-13-18-15-23(28-4)24(29-5)16-19(18)14-20/h7-8,12,15-16,20H,6,9-11,13-14H2,1-5H3
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29n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107881
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(3-fluoro-phenyl)-et...)
Show SMILES CCCN(CCc1cccc(F)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H28FNO2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50090828
PNG
((-)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9-...)
Show SMILES CCCN1CCO[C@H]2[C@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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30n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for binding affinity by measuring displacement of [3H]8-OH-DPAT from rat serotonin 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107876
PNG
((5,6-Dimethoxy-indan-2-yl)-dipropyl-amine | CHEMBL...)
Show SMILES CCCN(CCC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
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31n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107869
PNG
((5,6-Dimethoxy-indan-2-yl)-phenethyl-propyl-amine ...)
Show SMILES CCCN(CCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H29NO2/c1-4-11-23(12-10-17-8-6-5-7-9-17)20-13-18-15-21(24-2)22(25-3)16-19(18)14-20/h5-9,15-16,20H,4,10-14H2,1-3H3
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32n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107879
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-[2-(4-trifluorom...)
Show SMILES CCCN(CCc1ccc(cc1)C(F)(F)F)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H28F3NO2/c1-4-10-27(11-9-16-5-7-19(8-6-16)23(24,25)26)20-12-17-14-21(28-2)22(29-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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34n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107878
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(4-methoxy-phenyl)-e...)
Show SMILES CCCN(CCc1ccc(OC)cc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H31NO3/c1-5-11-24(12-10-17-6-8-21(25-2)9-7-17)20-13-18-15-22(26-3)23(27-4)16-19(18)14-20/h6-9,15-16,20H,5,10-14H2,1-4H3
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39n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107868
PNG
(4-{2-[(5,6-Dimethoxy-indan-2-yl)-propyl-amino]-eth...)
Show SMILES CCCN(CCc1ccc(cc1)C(N)=O)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H30N2O3/c1-4-10-25(11-9-16-5-7-17(8-6-16)23(24)26)20-12-18-14-21(27-2)22(28-3)15-19(18)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3,(H2,24,26)
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42n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50010586
PNG
((+)-1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4,9-diox...)
Show SMILES CCCN1CCO[C@H]2[C@H]1COc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
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42n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Human Dopamine receptor D2L affinities to determine agonist activity, using [3H]N-0437 as radioligand


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107867
PNG
((R)-2-Dipropylamino-indan-4-ol | (S)-2-Dipropylami...)
Show SMILES CCCN(CCC)C1Cc2cccc(O)c2C1
Show InChI InChI=1S/C15H23NO/c1-3-8-16(9-4-2)13-10-12-6-5-7-15(17)14(12)11-13/h5-7,13,17H,3-4,8-11H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50090829
PNG
((trans)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa...)
Show SMILES CCCN1CCOC2C1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3
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44n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for antagonist binding affinity by measuring displacement of [3H]spiperone from Human Dopamine receptor D4 expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107886
PNG
(CHEMBL142163 | [2-(3-Amino-phenyl)-ethyl]-(5,6-dim...)
Show SMILES CCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H30N2O2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13,23H2,1-3H3
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45n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107877
PNG
((4-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL4219...)
Show SMILES CCCN(CCC)C1Cc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO/c1-4-9-17(10-5-2)14-11-13-7-6-8-16(18-3)15(13)12-14/h6-8,14H,4-5,9-12H2,1-3H3
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45n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092170
PNG
(CHEMBL116372 | N*8*,N*8*-Dipropyl-8,9-dihydro-7H-c...)
Show SMILES CCCN(CCC)C1COc2ccc3nc(N)sc3c2C1
Show InChI InChI=1S/C16H23N3OS/c1-3-7-19(8-4-2)11-9-12-14(20-10-11)6-5-13-15(12)21-16(17)18-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,17,18)
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47n/an/an/an/an/an/an/an/a



University of Maastricht

Curated by ChEMBL


Assay Description
in vitro binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-0437 as radiolig...


J Med Chem 43: 3549-57 (2000)


BindingDB Entry DOI: 10.7270/Q2B27W0T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107870
PNG
(2-Dipropylamino-indan-5-ol | CHEMBL16409)
Show SMILES CCCN(CCC)C1Cc2ccc(O)cc2C1
Show InChI InChI=1S/C15H23NO/c1-3-7-16(8-4-2)14-9-12-5-6-15(17)11-13(12)10-14/h5-6,11,14,17H,3-4,7-10H2,1-2H3
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53n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107874
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-3-yl...)
Show SMILES CCCN(CCc1ccsc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C20H27NO2S/c1-4-7-21(8-5-15-6-9-24-14-15)18-10-16-12-19(22-2)20(23-3)13-17(16)11-18/h6,9,12-14,18H,4-5,7-8,10-11H2,1-3H3
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61n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107888
PNG
((5,6-Dimethoxy-indan-2-yl)-ethyl-propyl-amine | CH...)
Show SMILES CCCN(CC)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C16H25NO2/c1-5-7-17(6-2)14-8-12-10-15(18-3)16(19-4)11-13(12)9-14/h10-11,14H,5-9H2,1-4H3
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65n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107873
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(3,4-dimethoxy-pheny...)
Show SMILES CCCN(CCc1ccc(OC)c(OC)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C24H33NO4/c1-6-10-25(11-9-17-7-8-21(26-2)22(12-17)27-3)20-13-18-15-23(28-4)24(29-5)16-19(18)14-20/h7-8,12,15-16,20H,6,9-11,13-14H2,1-5H3
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66n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50090832
PNG
((cis)1-Propyl-2,3,10,10a-tetrahydro-1H,4aH-4-oxa-9...)
Show SMILES CCCN1CCO[C@H]2[C@@H]1CSc1ccc(O)cc21
Show InChI InChI=1S/C14H19NO2S/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14+/m0/s1
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74n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Tested for agonist binding affinity by measuring displacement of [3H]NPA from Human Dopamine receptor D2L expressed in CHO K-1 cells


J Med Chem 43: 2871-82 (2000)


BindingDB Entry DOI: 10.7270/Q2X067R1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107887
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-(2-thiophen-2-yl...)
Show SMILES CCCN(CCc1cccs1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C20H27NO2S/c1-4-8-21(9-7-18-6-5-10-24-18)17-11-15-13-19(22-2)20(23-3)14-16(15)12-17/h5-6,10,13-14,17H,4,7-9,11-12H2,1-3H3
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78n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107875
PNG
((5-Methoxy-indan-2-yl)-dipropyl-amine | CHEMBL3568...)
Show SMILES CCCN(CCC)C1Cc2ccc(OC)cc2C1
Show InChI InChI=1S/C16H25NO/c1-4-8-17(9-5-2)15-10-13-6-7-16(18-3)12-14(13)11-15/h6-7,12,15H,4-5,8-11H2,1-3H3
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84n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107883
PNG
(CHEMBL142535 | [2-(4-Bromo-phenyl)-ethyl]-(5,6-dim...)
Show SMILES CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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97n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107868
PNG
(4-{2-[(5,6-Dimethoxy-indan-2-yl)-propyl-amino]-eth...)
Show SMILES CCCN(CCc1ccc(cc1)C(N)=O)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H30N2O3/c1-4-10-25(11-9-16-5-7-17(8-6-16)23(24)26)20-12-18-14-21(27-2)22(28-3)15-19(18)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3,(H2,24,26)
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123n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107881
PNG
((5,6-Dimethoxy-indan-2-yl)-[2-(3-fluoro-phenyl)-et...)
Show SMILES CCCN(CCc1cccc(F)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H28FNO2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13H2,1-3H3
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125n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107872
PNG
((5,6-Dimethoxy-indan-2-yl)-propyl-(2-pyridin-3-yl-...)
Show SMILES CCCN(CCc1cccnc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C21H28N2O2/c1-4-9-23(10-7-16-6-5-8-22-15-16)19-11-17-13-20(24-2)21(25-3)14-18(17)12-19/h5-6,8,13-15,19H,4,7,9-12H2,1-3H3
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134n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50107880
PNG
(4-{2-[(5,6-Dimethoxy-indan-2-yl)-propyl-amino]-eth...)
Show SMILES CCCN(CCc1csc(N)n1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C19H27N3O2S/c1-4-6-22(7-5-15-12-25-19(20)21-15)16-8-13-10-17(23-2)18(24-3)11-14(13)9-16/h10-12,16H,4-9H2,1-3H3,(H2,20,21)
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136n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at rat D3 dopamine receptor on CHO cell membranes by [3H]-spiperone displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107882
PNG
((5,6-Dimethoxy-indan-2-yl)-(3-phenyl-propyl)-propy...)
Show SMILES CCCN(CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C23H31NO2/c1-4-12-24(13-8-11-18-9-6-5-7-10-18)21-14-19-16-22(25-2)23(26-3)17-20(19)15-21/h5-7,9-10,16-17,21H,4,8,11-15H2,1-3H3
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155n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50107886
PNG
(CHEMBL142163 | [2-(3-Amino-phenyl)-ethyl]-(5,6-dim...)
Show SMILES CCCN(CCc1cccc(N)c1)C1Cc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C22H30N2O2/c1-4-9-24(10-8-16-6-5-7-19(23)11-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-7,11,14-15,20H,4,8-10,12-13,23H2,1-3H3
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162n/an/an/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Affinity at D2 dopamine receptor on CHO cell membranes by [3H]-PNU-86170 displacement.


J Med Chem 44: 4716-32 (2001)


BindingDB Entry DOI: 10.7270/Q2ZP45D5
More data for this
Ligand-Target Pair
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