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Compile Data Set for Download or QSAR

Found 661 hits with Last Name = 'fontana' and Initial = 's'   
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
Transporter


(Rattus norvegicus (rat))
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.135n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [N-methyl-3H]nisoxetine from rat hippocampus NET by filtration binding assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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0.331n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(MOUSE)
BDBM50308250
PNG
((1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)...)
Show SMILES CCOC[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-2-18-7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,2,6-8H2,1H3/t10-,11-,14+/m1/s1
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0.851n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from mouse cortex SERT by filtration binding assay


J Med Chem 53: 2534-51 (2010)


Article DOI: 10.1021/jm901818u
BindingDB Entry DOI: 10.7270/Q2ST7PX2
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50030196
PNG
(CHEMBL3354065)
Show SMILES CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
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0.977n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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1.30n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263501
PNG
(CHEMBL4080675)
Show SMILES CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C22H34N2O/c1-2-3-4-8-19-13-17-23(18-14-19)15-7-16-24-21-10-6-5-9-20(21)11-12-22(24)25/h5-6,9-10,19H,2-4,7-8,11-18H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in mouse brain


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from SERT in mouse cortex after 2 hrs by liquid scintillation counting


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263502
PNG
(CHEMBL4091231)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-12-11-21-9-4-5-10-22(21)25(23)16-6-15-24-17-13-20(14-18-24)19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2
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1.90n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263486
PNG
(CHEMBL4093527)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c28-25-14-13-23-9-4-5-10-24(23)27(25)18-6-17-26-19-15-22(16-20-26)12-11-21-7-2-1-3-8-21/h1-5,7-10,22H,6,11-20H2
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2.10n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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2.20n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from NET in rat hippocampus after 2 hrs by liquid scintillation counting


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257032
PNG
(CHEMBL4080034)
Show SMILES COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 |r|
Show InChI InChI=1S/C19H21Cl2NO3/c1-23-18-7-6-16(21)10-19(18)25-13-17-12-22(8-9-24-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3/t17-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263488
PNG
(CHEMBL4085780)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
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2.90n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50030245
PNG
(CHEMBL3354073)
Show SMILES OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C22H34N2O2/c25-18-5-1-2-7-19-12-16-23(17-13-19)14-6-15-24-21-9-4-3-8-20(21)10-11-22(24)26/h3-4,8-9,19,25H,1-2,5-7,10-18H2
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4.40n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263494
PNG
(CHEMBL4098720)
Show SMILES CCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H30N2O/c1-2-6-17-11-15-21(16-12-17)13-5-14-22-19-8-4-3-7-18(19)9-10-20(22)23/h3-4,7-8,17H,2,5-6,9-16H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50030196
PNG
(CHEMBL3354065)
Show SMILES CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
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7.20n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in Hartley guinea pig brain cortex after 120 mins by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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10n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in Hartley guinea pig brain cortex after 120 mins by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(MOUSE)
BDBM50322698
PNG
(rel-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-aza...)
Show SMILES COC[C@]12C[C@]1(CCNC2)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C14H17Cl2NO/c1-18-9-13-7-14(13,4-5-17-8-13)10-2-3-11(15)12(16)6-10/h2-3,6,17H,4-5,7-9H2,1H3/t13-,14-/m1/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-35428 from DAT in mouse brain


J Med Chem 53: 4989-5001 (2010)


Article DOI: 10.1021/jm100481d
BindingDB Entry DOI: 10.7270/Q20V8DR3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263496
PNG
(CHEMBL4091058)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29N3O/c27-23-12-11-21-9-4-5-10-22(21)26(23)14-6-13-24-15-17-25(18-16-24)19-20-7-2-1-3-8-20/h1-5,7-10H,6,11-19H2
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20n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50416771
PNG
(CHEMBL1241641)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2nc(cn-32)C(F)(F)F)CC1
Show InChI InChI=1S/C27H26F3N5O/c1-18-8-9-20-21(31-18)5-3-6-22(20)34-14-12-33(13-15-34)11-10-19-4-2-7-23-26(19)36-17-25-32-24(16-35(23)25)27(28,29)30/h2-9,16H,10-15,17H2,1H3
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263493
PNG
(CHEMBL4063176)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H31N3O/c28-24-12-11-22-9-4-5-10-23(22)27(24)15-6-14-25-17-19-26(20-18-25)16-13-21-7-2-1-3-8-21/h1-5,7-10H,6,11-20H2
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29n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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47n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from SERT in Sprague-Dawley rat midbrain after 60 mins by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50263488
PNG
(CHEMBL4085780)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
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54n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1A adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50412441
PNG
(CHEMBL490417 | SB-744185)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H26N4O2/c1-17-5-7-19-20(25-17)3-2-4-22(19)28-13-11-27(12-14-28)10-9-18-6-8-23-21(15-18)26-24(29)16-30-23/h2-8,15H,9-14,16H2,1H3,(H,26,29)
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50263488
PNG
(CHEMBL4085780)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
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74n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1B adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50030243
PNG
(CHEMBL3354072)
Show SMILES OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H30N2O2/c23-16-3-5-17-10-14-21(15-11-17)12-4-13-22-19-7-2-1-6-18(19)8-9-20(22)24/h1-2,6-7,17,23H,3-5,8-16H2
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74n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50263488
PNG
(CHEMBL4085780)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
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91n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1D adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263503
PNG
(CHEMBL4079495)
Show SMILES COc1cccc(CCC2=NCCN2CCc2ccccc2)c1 |t:9|
Show InChI InChI=1S/C20H24N2O/c1-23-19-9-5-8-18(16-19)10-11-20-21-13-15-22(20)14-12-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3
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95n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50030246
PNG
(CHEMBL3354074)
Show SMILES OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C24H38N2O2/c27-20-7-3-1-2-4-9-21-14-18-25(19-15-21)16-8-17-26-23-11-6-5-10-22(23)12-13-24(26)28/h5-6,10-11,21,27H,1-4,7-9,12-20H2
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100n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50326147
PNG
(CHEMBL1242345 | N-(cyclopropylmethyl)-6-(2-(4-(2-m...)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NCC2CC2)CC1
Show InChI InChI=1S/C31H34N6O2/c1-21-8-11-24-25(34-21)5-3-6-26(24)36-16-14-35(15-17-36)13-12-23-4-2-7-27-30(23)39-19-28-29(33-20-37(27)28)31(38)32-18-22-9-10-22/h2-8,11,20,22H,9-10,12-19H2,1H3,(H,32,38)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50263486
PNG
(CHEMBL4093527)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c28-25-14-13-23-9-4-5-10-24(23)27(25)18-6-17-26-19-15-22(16-20-26)12-11-21-7-2-1-3-8-21/h1-5,7-10,22H,6,11-20H2
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200n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Agonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as RLuc8-fused Galphaq activation after 2 ...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50416772
PNG
(CHEMBL1242257)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc-3c2OCc2c(ncn-32)C(=O)NC2CCCC2)CC1
Show InChI InChI=1S/C32H36N6O2/c1-22-12-13-25-26(34-22)9-5-10-27(25)37-18-16-36(17-19-37)15-14-23-6-4-11-28-31(23)40-20-29-30(33-21-38(28)29)32(39)35-24-7-2-3-8-24/h4-6,9-13,21,24H,2-3,7-8,14-20H2,1H3,(H,35,39)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50263486
PNG
(CHEMBL4093527)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c28-25-14-13-23-9-4-5-10-24(23)27(25)18-6-17-26-19-15-22(16-20-26)12-11-21-7-2-1-3-8-21/h1-5,7-10,22H,6,11-20H2
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204n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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224n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1B adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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257n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1A adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263485
PNG
(CHEMBL4074104)
Show SMILES CC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C18H26N2O/c1-15-9-13-19(14-10-15)11-4-12-20-17-6-3-2-5-16(17)7-8-18(20)21/h2-3,5-6,15H,4,7-14H2,1H3
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257n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50263486
PNG
(CHEMBL4093527)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c28-25-14-13-23-9-4-5-10-24(23)27(25)18-6-17-26-19-15-22(16-20-26)12-11-21-7-2-1-3-8-21/h1-5,7-10,22H,6,11-20H2
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263n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50263488
PNG
(CHEMBL4085780)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-12-11-19-7-4-5-10-21(19)25(22)14-6-13-23-15-17-24(18-16-23)20-8-2-1-3-9-20/h1-5,7-10H,6,11-18H2
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269n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma1 receptor in Hartley guinea pig brain cortex after 120 mins by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50263501
PNG
(CHEMBL4080675)
Show SMILES CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C22H34N2O/c1-2-3-4-8-19-13-17-23(18-14-19)15-7-16-24-21-10-6-5-9-20(21)11-12-22(24)25/h5-6,9-10,19H,2-4,7-8,11-18H2,1H3
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282n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50263486
PNG
(CHEMBL4093527)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c28-25-14-13-23-9-4-5-10-24(23)27(25)18-6-17-26-19-15-22(16-20-26)12-11-21-7-2-1-3-8-21/h1-5,7-10,22H,6,11-20H2
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288n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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302n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1D adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50263487
PNG
(CHEMBL4064222)
Show SMILES CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C20H31N3O/c1-2-3-11-21-14-16-22(17-15-21)12-6-13-23-19-8-5-4-7-18(19)9-10-20(23)24/h4-5,7-8H,2-3,6,9-17H2,1H3
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316n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50263495
PNG
(CHEMBL4072818)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H30N2O/c27-24-12-11-22-9-4-5-10-23(22)26(24)16-6-15-25-17-13-21(14-18-25)19-20-7-2-1-3-8-20/h1-5,7-10,21H,6,11-19H2
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363n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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380n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50416769
PNG
(CHEMBL1241547)
Show SMILES Cc1cn-2c(COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc-23)n1
Show InChI InChI=1S/C27H29N5O/c1-19-9-10-22-23(28-19)6-4-7-24(22)31-15-13-30(14-16-31)12-11-21-5-3-8-25-27(21)33-18-26-29-20(2)17-32(25)26/h3-10,17H,11-16,18H2,1-2H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50416770
PNG
(CHEMBL1241548)
Show SMILES Cc1nc2COc3c(CCN4CCN(CC4)c4cccc5nc(C)ccc45)cccc3-n2c1C
Show InChI InChI=1S/C28H31N5O/c1-19-10-11-23-24(29-19)7-5-8-25(23)32-16-14-31(15-17-32)13-12-22-6-4-9-26-28(22)34-18-27-30-20(2)21(3)33(26)27/h4-11H,12-18H2,1-3H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay


J Med Chem 53: 5827-43 (2010)


Article DOI: 10.1021/jm100482n
BindingDB Entry DOI: 10.7270/Q2D50N6M
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50263486
PNG
(CHEMBL4093527)
Show SMILES O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H32N2O/c28-25-14-13-23-9-4-5-10-24(23)27(25)18-6-17-26-19-15-22(16-20-26)12-11-21-7-2-1-3-8-21/h1-5,7-10,22H,6,11-20H2
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407n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting method


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50030196
PNG
(CHEMBL3354065)
Show SMILES CCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C21H32N2O/c1-2-3-7-18-12-16-22(17-13-18)14-6-15-23-20-9-5-4-8-19(20)10-11-21(23)24/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3
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437n/an/an/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha-1A adrenergic receptor expressed in CHO cell membranes after 30 mins by liquid scintillatio...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
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