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Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'di stefano' and Initial = 'a'   
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(1B) dopamine receptor


(Homo sapiens (Human)-RAT)
BDBM50164588
PNG
(1-[1-(2-Chloro-phenyl)-cyclopropyl]-6-fluoro-2-met...)
Show SMILES CN1CCc2cc(F)c(O)cc2C1C1(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H19ClFNO/c1-22-9-6-12-10-16(21)17(23)11-13(12)18(22)19(7-8-19)14-4-2-3-5-15(14)20/h2-5,10-11,18,23H,6-9H2,1H3
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0.180n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for Dopamine receptor D1-like


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
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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0.730n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
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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0.741n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054084
PNG
((2R,3R)-2-(Allyl-methyl-amino)-3-phenyl-indan-5-ol...)
Show SMILES CN(CC=C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H21NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h3-10,13,18-19,21H,1,11-12H2,2H3/t18-,19-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054088
PNG
((2R,3R)-2-(Methyl-propyl-amino)-3-phenyl-indan-5-o...)
Show SMILES CCCN(C)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H23NO/c1-3-11-20(2)18-12-15-9-10-16(21)13-17(15)19(18)14-7-5-4-6-8-14/h4-10,13,18-19,21H,3,11-12H2,1-2H3/t18-,19-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054090
PNG
((1R,2R)-2-Dipropylamino-1-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-15-17-14-18(23)10-11-19(17)21(20)16-8-6-5-7-9-16/h5-11,14,20-21,23H,3-4,12-13,15H2,1-2H3/t20-,21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054090
PNG
((1R,2R)-2-Dipropylamino-1-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-15-17-14-18(23)10-11-19(17)21(20)16-8-6-5-7-9-16/h5-11,14,20-21,23H,3-4,12-13,15H2,1-2H3/t20-,21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50036738
PNG
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(1A) dopamine receptor


(RAT)
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054089
PNG
((2R,3R)-2-Amino-3-phenyl-indan-5-ol | CHEMBL135224)
Show SMILES N[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-8-11-6-7-12(17)9-13(11)15(14)10-4-2-1-3-5-10/h1-7,9,14-15,17H,8,16H2/t14-,15-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
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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2.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50054087
PNG
(6-[(3-Amino-propyl)-phenethyl-amino]-5,6,7,8-tetra...)
Show SMILES NCCCN(CCc1ccccc1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C21H28N2O/c22-13-5-14-23(15-12-17-6-2-1-3-7-17)19-10-11-20-18(16-19)8-4-9-21(20)24/h1-4,6-9,19,24H,5,10-16,22H2
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2.70n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat striatal homogenate by [3H]-spiperone displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50558228
PNG
(CHEMBL4761184)
Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)CCCCC2CCSS2)cc1
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2.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50036734
PNG
((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1
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3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50558231
PNG
(CHEMBL4743074)
Show SMILES COc1ccc(CN2CCC(CC2)OC(=O)CCCCC2CCSS2)cc1
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3.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50558230
PNG
(CHEMBL4749030)
Show SMILES Fc1ccc(CN2CCC(CC2)OC(=O)CCCCC2CCSS2)cc1
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4.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054093
PNG
((1R,2R)-2-Amino-1,2-dimethyl-1-phenyl-indan-5,6-di...)
Show SMILES C[C@@]1(N)Cc2cc(O)c(O)cc2[C@@]1(C)c1ccccc1
Show InChI InChI=1S/C17H19NO2/c1-16(18)10-11-8-14(19)15(20)9-13(11)17(16,2)12-6-4-3-5-7-12/h3-9,19-20H,10,18H2,1-2H3/t16-,17-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50558229
PNG
(CHEMBL4739870)
Show SMILES COc1ccc(CN2CCN(CC2)C(=O)CCCCC2CCSS2)cc1
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5.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50558232
PNG
(CHEMBL4782506)
Show SMILES O=C(CCCC[C@@H]1CCSS1)N1CCN(Cc2ccccc2)CC1 |r|
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6.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]SCH-23390 binding to Dopamine receptor D1-like of porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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8.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-7-OH-DPAT from dopamine D3 receptor in rat olfactory tubercle by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50558233
PNG
(CHEMBL4796597)
Show SMILES O=C(CCCC[C@@H]1CCSS1)OC1CCN(Cc2ccccc2)CC1 |r|
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane incubated for 150 mins by liquid scintillation counting method


Citation and Details

Article DOI: 10.1016/j.bmc.2016.05.045
BindingDB Entry DOI: 10.7270/Q20P13QJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054085
PNG
((1R,2R)-2-Amino-1-phenyl-indan-5-ol | CHEMBL336366)
Show SMILES N[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-9-11-8-12(17)6-7-13(11)15(14)10-4-2-1-3-5-10/h1-8,14-15,17H,9,16H2/t14-,15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054085
PNG
((1R,2R)-2-Amino-1-phenyl-indan-5-ol | CHEMBL336366)
Show SMILES N[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C15H15NO/c16-14-9-11-8-12(17)6-7-13(11)15(14)10-4-2-1-3-5-10/h1-8,14-15,17H,9,16H2/t14-,15-/m1/s1
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19n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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26n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50054091
PNG
((2R,3R)-2-Dipropylamino-3-phenyl-indan-5-ol | CHEM...)
Show SMILES CCCN(CCC)[C@@H]1Cc2ccc(O)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C21H27NO/c1-3-12-22(13-4-2)20-14-17-10-11-18(23)15-19(17)21(20)16-8-6-5-7-9-16/h5-11,15,20-21,23H,3-4,12-14H2,1-2H3/t20-,21-/m1/s1
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26n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D1 in rat neostriatum by [3H]-SCH- 23390 displacement.


J Med Chem 39: 4238-46 (1996)


Article DOI: 10.1021/jm960318v
BindingDB Entry DOI: 10.7270/Q2WQ04FD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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55n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50009307
PNG
(DITOLYLGUANIDINE | Di-o-tolylguanidine)
Show SMILES Cc1ccccc1NC(=N)Nc1ccccc1C
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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71n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50036734
PNG
((S)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m0/s1
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71n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50059789
PNG
(CHEMBL3393789)
Show SMILES OC1(CCN(CCC[C@@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m1/s1
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88n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50164591
PNG
(((1R,2R)-5-Fluoro-6-methoxy-1-phenyl-indan-2-yl)-d...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cc(F)c(OC)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C22H28FNO/c1-4-11-24(12-5-2)20-14-17-13-19(23)21(25-3)15-18(17)22(20)16-9-7-6-8-10-16/h6-10,13,15,20,22H,4-5,11-12,14H2,1-3H3/t20-,22-/m1/s1
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170n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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182n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50059787
PNG
(CHEMBL3393790)
Show SMILES OC1(CCN(CCC[C@H](OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2/t29-/m0/s1
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230n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor guinea pig brain membranes incubated for 150 mins by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50164580
PNG
((1R,2R)-6-Fluoro-2-(methyl-propyl-amino)-1-phenyl-...)
Show SMILES CCCN(C)[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C19H22FNO/c1-3-9-21(2)17-10-14-11-18(22)16(20)12-15(14)19(17)13-7-5-4-6-8-13/h4-8,11-12,17,19,22H,3,9-10H2,1-2H3/t17-,19-/m1/s1
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240n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50036738
PNG
((R)-4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-h...)
Show SMILES O[C@H](CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/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/h3-10,20,25-26H,1-2,11-15H2/t20-/m1/s1
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256n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Chieti Gabriele D'Annunzio

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum by scintillation counting method


Eur J Med Chem 90: 1-9 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.012
BindingDB Entry DOI: 10.7270/Q2WS8VWN
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50164593
PNG
(((1R,2R)-6-Fluoro-5-methoxy-1-phenyl-indan-2-yl)-m...)
Show SMILES CCCN(C)[C@@H]1Cc2cc(OC)c(F)cc2[C@H]1c1ccccc1
Show InChI InChI=1S/C20H24FNO/c1-4-10-22(2)18-11-15-12-19(23-3)17(21)13-16(15)20(18)14-8-6-5-7-9-14/h5-9,12-13,18,20H,4,10-11H2,1-3H3/t18-,20-/m1/s1
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270n/an/an/an/an/an/an/an/a



Universit£ G. D'Annunzio

Curated by ChEMBL


Assay Description
Inhibitory constant for [3H]YM-09151-2 binding to Dopamine receptor D2-like in porcine striatal membranes


J Med Chem 48: 2646-54 (2005)


Article DOI: 10.1021/jm040889k
BindingDB Entry DOI: 10.7270/Q2QR4XW2
More data for this
Ligand-Target Pair
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