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Compile Data Set for Download or QSAR

Found 312 hits with Last Name = 'fracasso' and Initial = 'c'   
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
Dopamine receptor


(RAT)
BDBM50329410
PNG
(CHEMBL1270323 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C20H21FN4O2/c21-16-7-5-15(6-8-16)20(26)22-9-10-24-11-13-25(14-12-24)19-17-3-1-2-4-18(17)27-23-19/h1-8H,9-14H2,(H,22,26)
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0.340n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50060685
PNG
(9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(F)c2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-8-10-20(11-9-19)16-14-6-3-7-21(14)15-12(17)4-2-5-13(15)18-16/h2-7H,8-11H2,1H3
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0.440n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50299661
PNG
(9-methyl-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)
Show SMILES Cc1cccc2nc(N3CCN(Cc4cnc[nH]4)CC3)c3cccn3c12
Show InChI InChI=1S/C20H22N6/c1-15-4-2-5-17-19(15)26-7-3-6-18(26)20(23-17)25-10-8-24(9-11-25)13-16-12-21-14-22-16/h2-7,12,14H,8-11,13H2,1H3,(H,21,22)
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0.490n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.5n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50253281
PNG
(CHEMBL522691 | N-(4-Cyanophenylmethyl)-4-(2-diphen...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccc(cc1)C#N
Show InChI InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
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0.580n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50299660
PNG
(7-fluoro-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C19H19FN6/c20-14-3-4-17-16(10-14)23-19(18-2-1-5-26(17)18)25-8-6-24(7-9-25)12-15-11-21-13-22-15/h1-5,10-11,13H,6-9,12H2,(H,21,22)
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0.680n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081973
PNG
(4-(4-Methyl-piperazin-1-yl)-pyrrolo[1,2-a]quinoxal...)
Show SMILES CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12
Show InChI InChI=1S/C16H18N4O/c1-18-7-9-19(10-8-18)16-15-3-2-6-20(15)14-5-4-12(21)11-13(14)17-16/h2-6,11,21H,7-10H2,1H3
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0.700n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]zacopride from 5HT3 receptor in rat cortex


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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0.790n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258431
PNG
(CHEMBL523716 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...)
Show SMILES ONC(=N)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C17H19FN6O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-24(14)15)23-8-6-22(7-9-23)11-16(19)21-25/h1-5,10,25H,6-9,11H2,(H2,19,21)
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50253208
PNG
(CHEMBL492871 | N-Benzyl-4-(2-diphenyl)-1-piperazin...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccccc1
Show InChI InChI=1S/C29H35N3O/c33-29(30-24-25-12-4-1-5-13-25)18-8-3-11-19-31-20-22-32(23-21-31)28-17-10-9-16-27(28)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17H,3,8,11,18-24H2,(H,30,33)
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0.800n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081969
PNG
(9-Methyl-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cccc(C)c2n2cccc12
Show InChI InChI=1S/C17H20N4/c1-13-5-3-6-14-16(13)21-8-4-7-15(21)17(18-14)20-11-9-19(2)10-12-20/h3-8H,9-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]zacopride from 5HT3 receptor in rat cortex


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50060688
PNG
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3
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0.800n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50060688
PNG
(7-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...)
Show SMILES CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)11-13(14)18-16/h2-6,11H,7-10H2,1H3
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0.810n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329412
PNG
(CHEMBL1270423 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C19H20FN5O/c20-17-5-3-15(4-6-17)19(26)23-8-9-24-10-12-25(13-11-24)18-16(14-21)2-1-7-22-18/h1-7H,8-13H2,(H,23,26)
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0.930n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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0.960n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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0.960n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50253244
PNG
(4-(2-Diphenyl)-N-(4-pyridinylmethyl)-1-piperazineh...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NCc1ccncc1
Show InChI InChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)
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0.980n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50253062
PNG
(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C25H33N3OS/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258495
PNG
((R)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...)
Show SMILES N[C@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O
Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253131
PNG
(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329407
PNG
(CHEMBL1270121 | N-[2-[4-(3-Cyanopyridin-2-yl)piper...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncccc1C#N
Show InChI InChI=1S/C20H23N5O2/c1-27-18-6-2-4-16(14-18)20(26)23-8-9-24-10-12-25(13-11-24)19-17(15-21)5-3-7-22-19/h2-7,14H,8-13H2,1H3,(H,23,26)
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1.52n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.60n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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1.60n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329408
PNG
(CHEMBL1270227 | N-[2-[4-(4-Chlorophenyl)piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClFN3O/c20-16-3-7-18(8-4-16)24-13-11-23(12-14-24)10-9-22-19(25)15-1-5-17(21)6-2-15/h1-8H,9-14H2,(H,22,25)
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1.76n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329405
PNG
(CHEMBL1270013 | N-(2-(4-(benzo[d]isoxazol-3-yl)pip...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1noc2ccccc12
Show InChI InChI=1S/C21H24N4O3/c1-27-17-6-4-5-16(15-17)21(26)22-9-10-24-11-13-25(14-12-24)20-18-7-2-3-8-19(18)28-23-20/h2-8,15H,9-14H2,1H3,(H,22,26)
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1.93n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50253089
PNG
(2-[6-[4-(2-Methylthiophenyl)-1-piperazinyl]-1-oxoh...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C26H35N3OS/c1-31-25-12-7-6-11-24(25)28-19-17-27(18-20-28)15-8-2-3-13-26(30)29-16-14-22-9-4-5-10-23(22)21-29/h4-7,9-12H,2-3,8,13-21H2,1H3
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2n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258293
PNG
(CHEMBL445505 | [4-(7-Hydroxypyrrolo[1,2-a]quinoxal...)
Show SMILES OC(=O)CN1CCN(CC1)c1nc2cc(O)ccc2n2cccc12
Show InChI InChI=1S/C17H18N4O3/c22-12-3-4-14-13(10-12)18-17(15-2-1-5-21(14)15)20-8-6-19(7-9-20)11-16(23)24/h1-5,10,22H,6-9,11H2,(H,23,24)
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2.10n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081968
PNG
(6-(4-Benzyl-piperazin-1-yl)-pyrido[2,3-e]pyrrolo[1...)
Show SMILES C(N1CCN(CC1)c1nc2ncccc2n2cccc12)c1ccccc1
Show InChI InChI=1S/C21H21N5/c1-2-6-17(7-3-1)16-24-12-14-25(15-13-24)21-19-9-5-11-26(19)18-8-4-10-22-20(18)23-21/h1-11H,12-16H2
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2.20n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258339
PNG
(CHEMBL492395 | [4-(7-Fluoropyrrolo[1,2-a]quinoxali...)
Show SMILES ONC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C17H18FN5O2/c18-12-3-4-14-13(10-12)19-17(15-2-1-5-23(14)15)22-8-6-21(7-9-22)11-16(24)20-25/h1-5,10,25H,6-9,11H2,(H,20,24)
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2.20n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50299665
PNG
(7-hydroxy-4-(4-((3H-imidazol-4-yl)methyl)piperazin...)
Show SMILES Oc1ccc2c(c1)nc(N1CCN(Cc3cnc[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C19H20N6O/c26-15-3-4-17-16(10-15)22-19(18-2-1-5-25(17)18)24-8-6-23(7-9-24)12-14-11-20-13-21-14/h1-5,10-11,13,26H,6-9,12H2,(H,20,21)
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2.25n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50081970
PNG
(6-(4-Methyl-piperazin-1-yl)-pyrido[2,3-e]pyrrolo[1...)
Show SMILES CN1CCN(CC1)c1nc2ncccc2n2cccc12
Show InChI InChI=1S/C15H17N5/c1-18-8-10-19(11-9-18)15-13-5-3-7-20(13)12-4-2-6-16-14(12)17-15/h2-7H,8-11H2,1H3
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2.40n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329409
PNG
(CHEMBL1270322 | N-[2-[4-(4-Methylphenyl)piperazin-...)
Show SMILES Cc1ccc(cc1)N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H24FN3O/c1-16-2-8-19(9-3-16)24-14-12-23(13-15-24)11-10-22-20(25)17-4-6-18(21)7-5-17/h2-9H,10-15H2,1H3,(H,22,25)
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2.64n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258462
PNG
((S)-2-Amino-3-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...)
Show SMILES N[C@@H](CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12)C(O)=O
Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)23-8-6-22(7-9-23)11-13(20)18(25)26/h1-5,10,13H,6-9,11,20H2,(H,25,26)/t13-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50329413
PNG
(CHEMBL1270516 | N-[2-[4-(5-Chloropyridin-2-yl)pipe...)
Show SMILES Fc1ccc(cc1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cn1
Show InChI InChI=1S/C18H20ClFN4O/c19-15-3-6-17(22-13-15)24-11-9-23(10-12-24)8-7-21-18(25)14-1-4-16(20)5-2-14/h1-6,13H,7-12H2,(H,21,25)
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2.92n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258428
PNG
(CHEMBL523042 | [4-(9-Methylpyrrolo[1,2-a]quinoxali...)
Show SMILES Cc1cccc2nc(N3CCN(CC(=O)NO)CC3)c3cccn3c12
Show InChI InChI=1S/C18H21N5O2/c1-13-4-2-5-14-17(13)23-7-3-6-15(23)18(19-14)22-10-8-21(9-11-22)12-16(24)20-25/h2-7,25H,8-12H2,1H3,(H,20,24)
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3n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50253088
PNG
(2-[6-[4-(2-Methoxyphenyl)-1-piperazinyl]-1-oxohexy...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)N2Cc3ccccc3C2)CC1
Show InChI InChI=1S/C25H33N3O2/c1-30-24-12-7-6-11-23(24)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-21-9-4-5-10-22(21)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258432
PNG
(7-Fluoro-4-[4-(4H-[1,2,4]triazol-3-ylmethyl)-piper...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3nnc[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C18H18FN7/c19-13-3-4-15-14(10-13)22-18(16-2-1-5-26(15)16)25-8-6-24(7-9-25)11-17-20-12-21-23-17/h1-5,10,12H,6-9,11H2,(H,20,21,23)
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3.40n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50253131
PNG
(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50253130
PNG
(2-[6-[4-(2-Diphenyl)-1-piperazinyl]-1-oxohexyl]-1,...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1CCc2ccccc2C1
Show InChI InChI=1S/C31H37N3O/c35-31(34-20-18-26-11-6-7-14-28(26)25-34)17-5-2-10-19-32-21-23-33(24-22-32)30-16-9-8-15-29(30)27-12-3-1-4-13-27/h1,3-4,6-9,11-16H,2,5,10,17-25H2
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3.80n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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4.20n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50068366
PNG
(CHEMBL93403 | N-{2-[4-(4-Chloro-phenyl)-piperazin-...)
Show SMILES COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
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4.97n/an/an/an/an/an/an/an/a



Universita` degli Studi di Bari A Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells after 90 mins by scintillation counting


J Med Chem 53: 7344-55 (2010)


Article DOI: 10.1021/jm100925m
BindingDB Entry DOI: 10.7270/Q28G8KX3
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50253245
PNG
(4-[2-(1-Methylethyl)phenyl]-N-(4-pyridinylmethyl)-...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C25H36N4O/c1-21(2)23-8-5-6-9-24(23)29-18-16-28(17-19-29)15-7-3-4-10-25(30)27-20-22-11-13-26-14-12-22/h5-6,8-9,11-14,21H,3-4,7,10,15-20H2,1-2H3,(H,27,30)
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5.10n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50253247
PNG
(CHEMBL493909 | N-(4-Cyanophenylmethyl)-4-(2-methyl...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H32N4OS/c1-31-24-8-5-4-7-23(24)29-17-15-28(16-18-29)14-6-2-3-9-25(30)27-20-22-12-10-21(19-26)11-13-22/h4-5,7-8,10-13H,2-3,6,9,14-18,20H2,1H3,(H,27,30)
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5.30n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50299662
PNG
(7-fluoro-4-(4-((1H-imidazol-2-yl)methyl)piperazin-...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3ncc[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C19H19FN6/c20-14-3-4-16-15(12-14)23-19(17-2-1-7-26(16)17)25-10-8-24(9-11-25)13-18-21-5-6-22-18/h1-7,12H,8-11,13H2,(H,21,22)
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5.60n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50252691
PNG
(CHEMBL494458 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O4S/c1-38(35,36)37-27-17-15-25(16-18-27)24-31-30(34)14-6-3-9-19-32-20-22-33(23-21-32)29-13-8-7-12-28(29)26-10-4-2-5-11-26/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-24H2,1H3,(H,31,34)
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5.70n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50253131
PNG
(2-[6-[4-(2-(1-Methylethyl)phenyl)-1-piperazinyl]-1...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)N2CCc3ccccc3C2)CC1
Show InChI InChI=1S/C28H39N3O/c1-23(2)26-12-7-8-13-27(26)30-20-18-29(19-21-30)16-9-3-4-14-28(32)31-17-15-24-10-5-6-11-25(24)22-31/h5-8,10-13,23H,3-4,9,14-22H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50258294
PNG
(2-[4-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)-piper...)
Show SMILES NC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C17H18FN5O/c18-12-3-4-14-13(10-12)20-17(15-2-1-5-23(14)15)22-8-6-21(7-9-22)11-16(19)24/h1-5,10H,6-9,11H2,(H2,19,24)
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7.30n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate


J Med Chem 52: 3548-62 (2009)


Article DOI: 10.1021/jm900018b
BindingDB Entry DOI: 10.7270/Q2M908K7
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50252692
PNG
(CHEMBL494661 | N-(4-Methanesulfonyloxyphenylmethyl...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NCc2ccc(OS(C)(=O)=O)cc2)CC1
Show InChI InChI=1S/C27H39N3O4S/c1-22(2)25-9-6-7-10-26(25)30-19-17-29(18-20-30)16-8-4-5-11-27(31)28-21-23-12-14-24(15-13-23)34-35(3,32)33/h6-7,9-10,12-15,22H,4-5,8,11,16-21H2,1-3H3,(H,28,31)
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7.80n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50253211
PNG
(4-(2-Methylthiophenyl)-N-(4-pyridinylmethyl)-1-pip...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C23H32N4OS/c1-29-22-8-5-4-7-21(22)27-17-15-26(16-18-27)14-6-2-3-9-23(28)25-19-20-10-12-24-13-11-20/h4-5,7-8,10-13H,2-3,6,9,14-19H2,1H3,(H,25,28)
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8.20n/an/an/an/an/an/an/an/a



Università degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


J Med Chem 51: 5813-22 (2008)


Article DOI: 10.1021/jm800615e
BindingDB Entry DOI: 10.7270/Q24749QX
More data for this
Ligand-Target Pair
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