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PubMed code 19831400

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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 3A


(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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PubMed
 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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 1A


(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		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 3A


(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 |t:15|
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
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 4


(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		3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(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
5-hydroxytryptamine receptor 2A


(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
5-hydroxytryptamine receptor 2A


(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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 1.26E+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]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
5-hydroxytryptamine receptor 1A


(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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 1.58E+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]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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (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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 9.81E+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]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
D(1A) dopamine 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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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat 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
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (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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>1.00E+4n/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
5-hydroxytryptamine receptor 4


(GUINEA PIG)		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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>1.00E+4n/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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (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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>1.00E+4n/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
D(1A) dopamine 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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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat 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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (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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>1.00E+4n/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
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 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
D(2) dopamine receptor


(Rattus norvegicus (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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>1.00E+4n/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: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (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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>1.00E+4n/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
5-hydroxytryptamine receptor 4


(GUINEA PIG)		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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>1.00E+4n/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
D(2) dopamine receptor


(Rattus norvegicus (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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>1.00E+4n/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: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (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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>1.00E+4n/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
D(1A) dopamine 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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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat 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
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (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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>1.00E+4n/an/an/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]RX821002 from adrenergic alpha2 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
D(2) dopamine receptor


(Rattus norvegicus (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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>1.00E+4n/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: 6946-50 (2009)


Article DOI: 10.1021/jm901126m
BindingDB Entry DOI: 10.7270/Q2H9963M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(RAT)		BDBM50081981
PNG
(4-(4-Benzyl-piperazin-1-yl)-9-methyl-pyrrolo[1,2-a...)
Show SMILES Cc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12
Show InChI InChI=1S/C23H24N4/c1-18-7-5-10-20-22(18)27-12-6-11-21(27)23(24-20)26-15-13-25(14-16-26)17-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3
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n/an/a 8.80n/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
5-hydroxytryptamine receptor 3A


(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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n/an/a 13n/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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/a 270n/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by...

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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/a 1.88E+3n/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by...

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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/a 2.63E+3n/an/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by...

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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/an/an/a 160n/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5HT3 receptor in voltage-stimulated guinea pig left atrium assessed as positive inotropic potency

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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/an/an/a 340n/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Intrinsic activity at 5HT3 receptor in voltage-stimulated guinea pig left atrium assessed as positive inotropic potency relative to serotonin

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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/an/a 955n/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by...

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
5-hydroxytryptamine receptor 3A


(GUINEA PIG)		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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n/an/an/a 64.6n/an/an/an/an/a



European Research Centre for Drug Discovery and Development

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT3 receptor in spontaneously beating guinea pig right atrium assessed as inhibition of serotonin-induced maximum response by...

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
* indicates data uncertainty>20%