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Compile Data Set for Download or QSAR

Found 108 hits from European Research Centre for Drug Discovery and Development   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


(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)
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)
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)
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


(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
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


(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
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
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
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)
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)
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
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
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
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
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


(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
Serotonin (5-HT) receptor


(RAT)
BDBM50258497
PNG
((4-Quinolin-2-ylpiperazin-1-yl)acetic Acid | CHEMB...)
Show SMILES OC(=O)CN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C15H17N3O2/c19-15(20)11-17-7-9-18(10-8-17)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,19,20)
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11.2n/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)
BDBM50258292
PNG
(2-(4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pipera...)
Show SMILES OC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C17H17FN4O2/c18-12-3-4-14-13(10-12)19-17(15-2-1-5-22(14)15)21-8-6-20(7-9-21)11-16(23)24/h1-5,10H,6-9,11H2,(H,23,24)
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11.7n/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)
BDBM50258292
PNG
(2-(4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)pipera...)
Show SMILES OC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C17H17FN4O2/c18-12-3-4-14-13(10-12)19-17(15-2-1-5-22(14)15)21-8-6-20(7-9-21)11-16(23)24/h1-5,10H,6-9,11H2,(H,23,24)
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11.7n/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)
BDBM50081974
PNG
(4-(4-Benzyl-piperazin-1-yl)-7-fluoro-pyrrolo[1,2-a...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn21
Show InChI InChI=1S/C22H21FN4/c23-18-8-9-20-19(15-18)24-22(21-7-4-10-27(20)21)26-13-11-25(12-14-26)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2
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13n/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)
BDBM50258460
PNG
(7-Fluoro-4-[4-(2,3-dihydro-4H-3-oxo-1,2,4-triazol-...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3n[nH]c(=O)[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C18H18FN7O/c19-12-3-4-14-13(10-12)20-17(15-2-1-5-26(14)15)25-8-6-24(7-9-25)11-16-21-18(27)23-22-16/h1-5,10H,6-9,11H2,(H2,21,22,23,27)
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17n/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)
BDBM50299664
PNG
(9-methyl-4-(4-(2-(1H-imidazol-1-yl)ethyl)piperazin...)
Show SMILES Cc1cccc2nc(N3CCN(CCn4ccnc4)CC3)c3cccn3c12
Show InChI InChI=1S/C21H24N6/c1-17-4-2-5-18-20(17)27-8-3-6-19(27)21(23-18)26-14-12-24(13-15-26)10-11-25-9-7-22-16-25/h2-9,16H,10-15H2,1H3
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17.8n/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)
BDBM50299663
PNG
(7-fluoro-4-(4-(2-(1H-imidazol-1-yl)ethyl)piperazin...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(CCn3ccnc3)CC1)c1cccn21
Show InChI InChI=1S/C20H21FN6/c21-16-3-4-18-17(14-16)23-20(19-2-1-6-27(18)19)26-12-10-24(11-13-26)8-9-25-7-5-22-15-25/h1-7,14-15H,8-13H2
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22.2n/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)
BDBM50299667
PNG
(7-fluoro-4-(4-((4,5-dihydro-1H-imidazol-2-yl)methy...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(CC3=NCCN3)CC1)c1cccn21
Show InChI InChI=1S/C19H21FN6/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/h1-4,7,12H,5-6,8-11,13H2,(H,21,22)
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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: 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)
BDBM50258429
PNG
(CHEMBL494999 | [4-(9-Methylpyrrolo[1,2-a]quinoxali...)
Show SMILES Cc1cccc2nc(N3CCN(CC3)C(C(O)=O)c3ccccc3)c3cccn3c12
Show InChI InChI=1S/C24H24N4O2/c1-17-7-5-10-19-21(17)28-12-6-11-20(28)23(25-19)27-15-13-26(14-16-27)22(24(29)30)18-8-3-2-4-9-18/h2-12,22H,13-16H2,1H3,(H,29,30)
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44n/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)
BDBM50299668
PNG
((4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazi...)
Show SMILES NNC(=O)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(25)21-19/h1-5,10H,6-9,11,19H2,(H,21,25)
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44.3n/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: 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)
BDBM50258459
PNG
(7-Fluoro-4-[4-(1H-tetrazol-5-yl)methylpiperazin-1-...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3nnn[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C17H17FN8/c18-12-3-4-14-13(10-12)19-17(15-2-1-5-26(14)15)25-8-6-24(7-9-25)11-16-20-22-23-21-16/h1-5,10H,6-9,11H2,(H,20,21,22,23)
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65n/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)
BDBM50258430
PNG
(2-[4-(9-Methylpyrrolo[1,2-a]quinoxalin-4-yl)pipera...)
Show SMILES Cc1cccc2nc(N3CCN(CC3)C(CO)c3ccccc3)c3cccn3c12
Show InChI InChI=1S/C24H26N4O/c1-18-7-5-10-20-23(18)28-12-6-11-21(28)24(25-20)27-15-13-26(14-16-27)22(17-29)19-8-3-2-4-9-19/h2-12,22,29H,13-17H2,1H3
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79n/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
HTR4


(GUINEA PIG)
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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100n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum


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
HTR4


(GUINEA PIG)
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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100n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5HT4 receptor in guinea pig striatum


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))
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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124n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A 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)
BDBM50258461
PNG
(5-[4-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)-piper...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(Cc3n[nH]c(=O)o3)CC1)c1cccn21
Show InChI InChI=1S/C18H17FN6O2/c19-12-3-4-14-13(10-12)20-17(15-2-1-5-25(14)15)24-8-6-23(7-9-24)11-16-21-22-18(26)27-16/h1-5,10H,6-9,11H2,(H,22,26)
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127n/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))
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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138n/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


(RAT)
BDBM50258496
PNG
((S)-2-Amino-1-[4-(7-fluoropyrrolo[1,2-a]quinoxalin...)
Show SMILES N[C@H](CO)C(=O)N1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C18H20FN5O2/c19-12-3-4-15-14(10-12)21-17(16-2-1-5-24(15)16)22-6-8-23(9-7-22)18(26)13(20)11-25/h1-5,10,13,25H,6-9,11,20H2/t13-/m1/s1
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237n/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)
BDBM50258458
PNG
(7-Fluoro-4-[4-(methanesulfonamidoacetyl)piperazin-...)
Show SMILES CS(=O)(=O)NC(=O)CN1CCN(CC1)c1nc2cc(F)ccc2n2cccc12
Show InChI InChI=1S/C18H20FN5O3S/c1-28(26,27)21-17(25)12-22-7-9-23(10-8-22)18-16-3-2-6-24(16)15-5-4-13(19)11-14(15)20-18/h2-6,11H,7-10,12H2,1H3,(H,21,25)
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246n/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)
BDBM50299666
PNG
(7-fluoro-4-(4-(2-(1H-imidazol-4-yl)ethyl)piperazin...)
Show SMILES Fc1ccc2c(c1)nc(N1CCN(CCc3cnc[nH]3)CC1)c1cccn21
Show InChI InChI=1S/C20H21FN6/c21-15-3-4-18-17(12-15)24-20(19-2-1-6-27(18)19)26-10-8-25(9-11-26)7-5-16-13-22-14-23-16/h1-4,6,12-14H,5,7-11H2,(H,22,23)
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330n/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))
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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446n/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))
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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480n/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))
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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501n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A 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


(Rattus norvegicus (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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794n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in rat cortex


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))
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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794n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A 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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50258497
PNG
((4-Quinolin-2-ylpiperazin-1-yl)acetic Acid | CHEMB...)
Show SMILES OC(=O)CN1CCN(CC1)c1ccc2ccccc2n1
Show InChI InChI=1S/C15H17N3O2/c19-15(20)11-17-7-9-18(10-8-17)14-6-5-12-3-1-2-4-13(12)16-14/h1-6H,7-11H2,(H,19,20)
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919n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum


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
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