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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 50022074   
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 2A


(Homo sapiens (human))
BDBM50231459
PNG
(CHEMBL252818 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22)10-11-27-12-14-28(15-13-27)24-20-4-2-3-5-23(20)30-26-24/h2-7,16,22H,8-15H2,1H3,(H,25,29)
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0.0100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231448
PNG
(CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)
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0.0100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231440
PNG
(CHEMBL253878 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(Cc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C30H32N4OS/c35-29(21-22-6-2-1-3-7-22)31-27-13-12-24-11-10-23(20-26(24)27)14-15-33-16-18-34(19-17-33)30-25-8-4-5-9-28(25)36-32-30/h1-11,20,27H,12-19,21H2,(H,31,35)
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0.0400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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0.0800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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0.0800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231453
PNG
(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C22H26N4S/c23-20-8-7-17-6-5-16(15-19(17)20)9-10-25-11-13-26(14-12-25)22-18-3-1-2-4-21(18)27-24-22/h1-6,15,20H,7-14,23H2
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0.0900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231452
PNG
(CHEMBL253439 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES Clc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C29H29ClN4OS/c30-23-10-7-22(8-11-23)29(35)31-26-12-9-21-6-5-20(19-25(21)26)13-14-33-15-17-34(18-16-33)28-24-3-1-2-4-27(24)36-32-28/h1-8,10-11,19,26H,9,12-18H2,(H,31,35)
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0.100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231449
PNG
(CHEMBL398711 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C24H25F3N4OS/c25-24(26,27)23(32)28-20-8-6-17-15-16(5-7-18(17)20)9-10-30-11-13-31(14-12-30)22-19-3-1-2-4-21(19)33-29-22/h1-5,7,15,20H,6,8-14H2,(H,28,32)
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0.150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
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0.25n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231442
PNG
(CHEMBL253024 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1
Show InChI InChI=1S/C26H30N4OS/c31-26(20-7-8-20)27-23-10-9-19-6-5-18(17-22(19)23)11-12-29-13-15-30(16-14-29)25-21-3-1-2-4-24(21)32-28-25/h1-6,17,20,23H,7-16H2,(H,27,31)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231449
PNG
(CHEMBL398711 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C24H25F3N4OS/c25-24(26,27)23(32)28-20-8-6-17-15-16(5-7-18(17)20)9-10-30-11-13-31(14-12-30)22-19-3-1-2-4-21(19)33-29-22/h1-5,7,15,20H,6,8-14H2,(H,28,32)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231447
PNG
(CHEMBL252030 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-7-19-16-18(6-8-20(19)22)10-11-27-12-14-28(15-13-27)24-21-4-2-3-5-23(21)30-26-24/h2-6,8,16,22H,7,9-15H2,1H3,(H,25,29)
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0.330n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231451
PNG
(CHEMBL400235 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-10-20-9-8-19(18-22(20)23)12-13-29-14-16-30(17-15-29)26-21-6-3-4-7-24(21)32-28-26/h3-4,6-9,18,23H,2,5,10-17H2,1H3,(H,27,31)
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231437
PNG
(CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1
Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)
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0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231460
PNG
(CHEMBL398525 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C26H32N4OS/c1-18(2)26(31)27-23-10-8-20-17-19(7-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-5-3-4-6-24(22)32-28-25/h3-7,9,17-18,23H,8,10-16H2,1-2H3,(H,27,31)
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0.490n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231443
PNG
(CHEMBL252228 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-9-20-18-19(8-10-21(20)23)12-13-29-14-16-30(17-15-29)26-22-6-3-4-7-24(22)32-28-26/h3-4,6-8,10,18,23H,2,5,9,11-17H2,1H3,(H,27,31)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231444
PNG
(CHEMBL398744 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1
Show InChI InChI=1S/C27H28N4O2S/c32-27(24-5-3-17-33-24)28-23-10-9-20-8-7-19(18-22(20)23)11-12-30-13-15-31(16-14-30)26-21-4-1-2-6-25(21)34-29-26/h1-8,17-18,23H,9-16H2,(H,28,32)
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0.550n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231460
PNG
(CHEMBL398525 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C26H32N4OS/c1-18(2)26(31)27-23-10-8-20-17-19(7-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-5-3-4-6-24(22)32-28-25/h3-7,9,17-18,23H,8,10-16H2,1-2H3,(H,27,31)
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0.650n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231446
PNG
(CHEMBL252430 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)c1cccnc1
Show InChI InChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-8-21-18-20(7-9-23(21)25)11-13-32-14-16-33(17-15-32)27-24-5-1-2-6-26(24)35-31-27/h1-7,9,12,18-19,25H,8,10-11,13-17H2,(H,30,34)
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0.680n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231437
PNG
(CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1
Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)
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0.730n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231457
PNG
(CHEMBL400236 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C26H32N4OS/c1-18(2)26(31)27-23-10-9-20-8-7-19(17-22(20)23)11-12-29-13-15-30(16-14-29)25-21-5-3-4-6-24(21)32-28-25/h3-8,17-18,23H,9-16H2,1-2H3,(H,27,31)
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0.75n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231443
PNG
(CHEMBL252228 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-9-20-18-19(8-10-21(20)23)12-13-29-14-16-30(17-15-29)26-22-6-3-4-7-24(22)32-28-26/h3-4,6-8,10,18,23H,2,5,9,11-17H2,1H3,(H,27,31)
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0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231438
PNG
(CHEMBL252201 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(CCc1ccccc1)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C31H34N4OS/c36-30(15-11-23-6-2-1-3-7-23)32-28-14-13-25-12-10-24(22-27(25)28)16-17-34-18-20-35(21-19-34)31-26-8-4-5-9-29(26)37-33-31/h1-10,12,22,28H,11,13-21H2,(H,32,36)
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0.950n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231456
PNG
(CHEMBL398619 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1
Show InChI InChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-9-21-8-7-20(18-24(21)25)11-13-32-14-16-33(17-15-32)27-23-5-1-2-6-26(23)35-31-27/h1-8,12,18-19,25H,9-11,13-17H2,(H,30,34)
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0.950n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231449
PNG
(CHEMBL398711 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES FC(F)(F)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C24H25F3N4OS/c25-24(26,27)23(32)28-20-8-6-17-15-16(5-7-18(17)20)9-10-30-11-13-31(14-12-30)22-19-3-1-2-4-21(19)33-29-22/h1-5,7,15,20H,6,8-14H2,(H,28,32)
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231460
PNG
(CHEMBL398525 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(C)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C26H32N4OS/c1-18(2)26(31)27-23-10-8-20-17-19(7-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-5-3-4-6-24(22)32-28-25/h3-7,9,17-18,23H,8,10-16H2,1-2H3,(H,27,31)
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1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231447
PNG
(CHEMBL252030 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-7-19-16-18(6-8-20(19)22)10-11-27-12-14-28(15-13-27)24-21-4-2-3-5-23(21)30-26-24/h2-6,8,16,22H,7,9-15H2,1H3,(H,25,29)
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1.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231459
PNG
(CHEMBL252818 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-8-19-7-6-18(16-21(19)22)10-11-27-12-14-28(15-13-27)24-20-4-2-3-5-23(20)30-26-24/h2-7,16,22H,8-15H2,1H3,(H,25,29)
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1.34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231444
PNG
(CHEMBL398744 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccco1
Show InChI InChI=1S/C27H28N4O2S/c32-27(24-5-3-17-33-24)28-23-10-9-20-8-7-19(18-22(20)23)11-12-30-13-15-31(16-14-30)26-21-4-1-2-6-25(21)34-29-26/h1-8,17-18,23H,9-16H2,(H,28,32)
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1.38n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231450
PNG
(CHEMBL252429 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES Fc1ccc(cc1)C(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C29H29FN4OS/c30-23-9-6-21(7-10-23)29(35)31-26-12-8-22-19-20(5-11-24(22)26)13-14-33-15-17-34(18-16-33)28-25-3-1-2-4-27(25)36-32-28/h1-7,9-11,19,26H,8,12-18H2,(H,31,35)
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1.65n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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1.88n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231454
PNG
(CHEMBL252816 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES FC(F)(F)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C24H25F3N4OS/c25-24(26,27)23(32)28-20-8-7-17-6-5-16(15-19(17)20)9-10-30-11-13-31(14-12-30)22-18-3-1-2-4-21(18)33-29-22/h1-6,15,20H,7-14H2,(H,28,32)
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1.92n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231441
PNG
(CHEMBL252031 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-8-19-17-18(7-9-20(19)22)11-12-28-13-15-29(16-14-28)25-21-5-3-4-6-23(21)31-27-25/h3-7,9,17,22H,2,8,10-16H2,1H3,(H,26,30)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231453
PNG
(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C22H26N4S/c23-20-8-7-17-6-5-16(15-19(17)20)9-10-25-11-13-26(14-12-25)22-18-3-1-2-4-21(18)27-24-22/h1-6,15,20H,7-14,23H2
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231437
PNG
(CHEMBL252230 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12)C1CC1
Show InChI InChI=1S/C26H30N4OS/c31-26(19-6-7-19)27-23-10-8-20-17-18(5-9-21(20)23)11-12-29-13-15-30(16-14-29)25-22-3-1-2-4-24(22)32-28-25/h1-5,9,17,19,23H,6-8,10-16H2,(H,27,31)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231443
PNG
(CHEMBL252228 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-9-20-18-19(8-10-21(20)23)12-13-29-14-16-30(17-15-29)26-22-6-3-4-7-24(22)32-28-26/h3-4,6-8,10,18,23H,2,5,9,11-17H2,1H3,(H,27,31)
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2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231442
PNG
(CHEMBL253024 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)C1CC1
Show InChI InChI=1S/C26H30N4OS/c31-26(20-7-8-20)27-23-10-9-19-6-5-18(17-22(19)23)11-12-29-13-15-30(16-14-29)25-21-3-1-2-4-24(21)32-28-25/h1-6,17,20,23H,7-16H2,(H,27,31)
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2.22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231455
PNG
(CHEMBL442290 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES Fc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C29H29FN4OS/c30-23-10-7-22(8-11-23)29(35)31-26-12-9-21-6-5-20(19-25(21)26)13-14-33-15-17-34(18-16-33)28-24-3-1-2-4-27(24)36-32-28/h1-8,10-11,19,26H,9,12-18H2,(H,31,35)
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2.45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231453
PNG
(6-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C22H26N4S/c23-20-8-7-17-6-5-16(15-19(17)20)9-10-25-11-13-26(14-12-25)22-18-3-1-2-4-21(18)27-24-22/h1-6,15,20H,7-14,23H2
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2.72n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50231439
PNG
(CHEMBL398618 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES Cc1ccc(cc1)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C30H32N4OS/c1-21-6-9-24(10-7-21)30(35)31-27-13-12-23-11-8-22(20-26(23)27)14-15-33-16-18-34(19-17-33)29-25-4-2-3-5-28(25)36-32-29/h2-11,20,27H,12-19H2,1H3,(H,31,35)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50231445
PNG
(CHEMBL251834 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show InChI InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
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3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231448
PNG
(CHEMBL253022 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C25H30N4OS/c1-2-24(30)26-22-10-9-19-8-7-18(17-21(19)22)11-12-28-13-15-29(16-14-28)25-20-5-3-4-6-23(20)31-27-25/h3-8,17,22H,2,9-16H2,1H3,(H,26,30)
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3.03n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231447
PNG
(CHEMBL252030 | N-(5-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C24H28N4OS/c1-17(29)25-22-9-7-19-16-18(6-8-20(19)22)10-11-27-12-14-28(15-13-27)24-21-4-2-3-5-23(21)30-26-24/h2-6,8,16,22H,7,9-15H2,1H3,(H,25,29)
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3.18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231456
PNG
(CHEMBL398619 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1
Show InChI InChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-9-21-8-7-20(18-24(21)25)11-13-32-14-16-33(17-15-32)27-23-5-1-2-6-26(23)35-31-27/h1-8,12,18-19,25H,9-11,13-17H2,(H,30,34)
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3.31n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231457
PNG
(CHEMBL400236 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CC(C)C(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C26H32N4OS/c1-18(2)26(31)27-23-10-9-20-8-7-19(17-22(20)23)11-12-29-13-15-30(16-14-29)25-21-5-3-4-6-24(21)32-28-25/h3-8,17-18,23H,9-16H2,1-2H3,(H,27,31)
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3.61n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50231451
PNG
(CHEMBL400235 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES CCCC(=O)NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-10-20-9-8-19(18-22(20)23)12-13-29-14-16-30(17-15-29)26-21-6-3-4-7-24(21)32-28-26/h3-4,6-9,18,23H,2,5,10-17H2,1H3,(H,27,31)
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3.96n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50231456
PNG
(CHEMBL398619 | N-(6-(2-(4-(benzo[d]isothiazol-3-yl...)
Show SMILES O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1cccnc1
Show InChI InChI=1S/C28H29N5OS/c34-28(22-4-3-12-29-19-22)30-25-10-9-21-8-7-20(18-24(21)25)11-13-32-14-16-33(17-15-32)27-23-5-1-2-6-26(23)35-31-27/h1-8,12,18-19,25H,9-11,13-17H2,(H,30,34)
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4.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8OHDPAT from human 5HT1A receptor


Bioorg Med Chem Lett 18: 489-93 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.106
BindingDB Entry DOI: 10.7270/Q2611023
More data for this
Ligand-Target Pair
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