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Compile Data Set for Download or QSAR

Found 414 hits with Last Name = 'micioni di bonaventura' and Initial = 'mv'   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004767
PNG
(CHEMBL2312536)
Show SMILES COc1ccccc1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m0/s1
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0.309n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
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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0.330n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.372n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004768
PNG
(CHEMBL2312538)
Show SMILES C(COc1ccccc1)NC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m0/s1
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0.398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50401953
PNG
(CHEMBL2207643)
Show SMILES COc1ccccc1N1CCN(Cc2ccc3cccccc23)CC1
Show InChI InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
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0.400n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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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0.430n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608788
PNG
(CHEMBL5285358)
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0.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50094505
PNG
(2-((4-phenylpiperazin-1-yl)methyl)-1H-indole-5-car...)
Show SMILES N#Cc1ccc2[nH]c(CN3CCN(CC3)c3ccccc3)cc2c1
Show InChI InChI=1S/C20H20N4/c21-14-16-6-7-20-17(12-16)13-18(22-20)15-23-8-10-24(11-9-23)19-4-2-1-3-5-19/h1-7,12-13,22H,8-11,15H2
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0.520n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004766
PNG
(CHEMBL2312226)
Show SMILES COc1cccc(OC)c1OCCNC[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3/t23-/m0/s1
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0.550n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50259021
PNG
(CHEMBL4067083)
Show SMILES [O-][N+](=O)c1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26N2O5/c28-27(29)23-13-7-8-14-24(23)31-16-15-26-17-22-18-30-19-25(32-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26H,15-19H2
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0.562n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004769
PNG
(CHEMBL2312537)
Show SMILES C(COc1ccccc1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2
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0.589n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412783
PNG
(CHEMBL493486)
Show SMILES COc1ccccc1OCCNC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3/t23-/m1/s1
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0.603n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50259024
PNG
(CHEMBL4071929)
Show SMILES COCOc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-21-32-26-15-9-8-14-25(26)31-17-16-28-18-24-19-30-20-27(33-24,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-15,24,28H,16-21H2,1H3
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0.631n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608785
PNG
(CHEMBL5272162)
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0.660n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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0.661n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50259000
PNG
(CHEMBL4082195)
Show SMILES Oc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO4/c27-23-13-7-8-14-24(23)29-16-15-26-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,26-27H,15-19H2
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0.692n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608786
PNG
(CHEMBL5278853)
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0.760n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50259023
PNG
(CHEMBL4075507)
Show SMILES Clc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H26ClNO3/c26-23-13-7-8-14-24(23)29-16-15-27-17-22-18-28-19-25(30-22,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,27H,15-19H2
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0.794n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50259020
PNG
(CHEMBL4091168)
Show SMILES C(COc1ccccn1)NCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H26N2O3/c1-3-9-20(10-4-1)24(21-11-5-2-6-12-21)19-27-18-22(29-24)17-25-15-16-28-23-13-7-8-14-26-23/h1-14,22,25H,15-19H2
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0.891n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
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))
BDBM50094503
PNG
(2-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-1H-in...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
Show InChI InChI=1S/C20H19FN4/c21-17-2-4-19(5-3-17)25-9-7-24(8-10-25)14-18-12-16-11-15(13-22)1-6-20(16)23-18/h1-6,11-12,23H,7-10,14H2
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50091345
PNG
(CHEMBL2092861)
Show SMILES C[C@@H](Cc1ccccc1)C1=NCCN1 |r,t:10|
Show InChI InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidin from I1-imidazoline receptor in rat PC12 cell membranes


ACS Med Chem Lett 6: 496-501 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00115
BindingDB Entry DOI: 10.7270/Q20C4XGC
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50004770
PNG
(CHEMBL2312227)
Show SMILES COc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO4/c1-28-24-14-8-9-15-25(24)30-17-16-27-18-23-19-29-20-26(31-23,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,27H,16-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50259022
PNG
(CHEMBL4070363)
Show SMILES Cc1ccccc1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c1-21-10-8-9-15-25(21)29-17-16-27-18-24-19-28-20-26(30-24,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-15,24,27H,16-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
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
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
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
D(3) dopamine receptor


(Homo sapiens)
BDBM50608802
PNG
(CHEMBL5277789)
PDB

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Citation and Details
More data for this
Ligand-Target Pair
Nischarin


(RAT)
BDBM50000214
PNG
(CHEMBL337862)
Show SMILES C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
Show InChI InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9,19H,10-12H2,(H,17,18)
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1.40n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50004772
PNG
(CHEMBL2312225)
Show SMILES COc1cccc(OC)c1OCCNCC1COCC(O1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H31NO5/c1-29-24-14-9-15-25(30-2)26(24)32-17-16-28-18-23-19-31-20-27(33-23,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,23,28H,16-20H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50109943
PNG
(3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cnn3c(cccc23)C#N)CC1
Show InChI InChI=1S/C19H18ClN5/c20-16-4-6-17(7-5-16)24-10-8-23(9-11-24)14-15-13-22-25-18(12-21)2-1-3-19(15)25/h1-7,13H,8-11,14H2
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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608803
PNG
(CHEMBL2005767)
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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50412784
PNG
(CHEMBL493285)
Show SMILES C(COc1ccccc1)NC[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO3/c1-4-10-21(11-5-1)25(22-12-6-2-7-13-22)20-27-19-24(29-25)18-26-16-17-28-23-14-8-3-9-15-23/h1-15,24,26H,16-20H2/t24-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from recombinant human 5HT1A receptor expressed in human HeLa cell membranes after 30 mins by liquid scintillation coun...


Eur J Med Chem 125: 233-244 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.026
BindingDB Entry DOI: 10.7270/Q21C20BZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50608787
PNG
(CHEMBL5280364)
PDB

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Citation and Details
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))
BDBM50119934
PNG
(1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-[1-(4-nitro-...)
Show SMILES CC1Cc2ccccc2N1C(=O)CC1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-17-14-20-4-2-3-5-22(20)25(17)23(27)15-18-10-12-24(13-11-18)16-19-6-8-21(9-7-19)26(28)29/h2-9,17-18H,10-16H2,1H3
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Citation and Details
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50147929
PNG
(4-(4-Bromo-benzyl)-2-(4-chloro-2-methoxy-phenoxyme...)
Show SMILES COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Br)cc2)CCCO1
Show InChI InChI=1S/C20H23BrClNO3/c1-24-20-11-17(22)7-8-19(20)26-14-18-13-23(9-2-10-25-18)12-15-3-5-16(21)6-4-15/h3-8,11,18H,2,9-10,12-14H2,1H3
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Citation and Details
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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Citation and Details
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
Nischarin


(RAT)
BDBM50193034
PNG
(CHEMBL3904276)
Show SMILES Cc1ccccc1NCC1=NCCN1 |t:10|
Show InChI InChI=1S/C11H15N3/c1-9-4-2-3-5-10(9)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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2n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Displacement of [125I]-p-iodoclonidine from I1 receptor imidazoline binding site in Sprague-Dawley rat kidney cell membranes after 30 mins by liquid ...


ACS Med Chem Lett 7: 956-961 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00290
BindingDB Entry DOI: 10.7270/Q2086784
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))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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2.20n/an/an/an/an/an/an/an/a


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Citation and Details
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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Citation and Details
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))
BDBM50147932
PNG
(4-(4-Chloro-benzyl)-2-(4-chloro-2-methoxy-phenoxym...)
Show SMILES COc1cc(Cl)ccc1OCC1CN(Cc2ccc(Cl)cc2)CCO1
Show InChI InChI=1S/C19H21Cl2NO3/c1-23-19-10-16(21)6-7-18(19)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
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2.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details
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))
BDBM50608794
PNG
(UCSF924)
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3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
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