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Compile Data Set for Download or QSAR

Found 97 hits Enz. Inhib. hit(s) with all data for entry = 50047499   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171405
PNG
(CHEMBL3805165)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc3OC(F)(F)Oc23)c1
Show InChI InChI=1S/C23H27F2N3O4/c1-26-22(29)17-6-4-7-18(16-17)30-15-3-2-10-27-11-13-28(14-12-27)19-8-5-9-20-21(19)32-23(24,25)31-20/h4-9,16H,2-3,10-15H2,1H3,(H,26,29)
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n/an/a 4.10n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171392
PNG
(CHEMBL3805559)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1S/C24H28FN3O3/c1-26-24(29)18-5-4-6-20(15-18)30-14-3-2-11-28-12-9-17(10-13-28)23-21-8-7-19(25)16-22(21)31-27-23/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 8.5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171461
PNG
(CHEMBL3805120)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1C
Show InChI InChI=1S/C23H29Cl2N3O2/c1-17-8-9-18(16-19(17)23(29)26-2)30-15-4-3-10-27-11-13-28(14-12-27)21-7-5-6-20(24)22(21)25/h5-9,16H,3-4,10-15H2,1-2H3,(H,26,29)
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n/an/a 9.80n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171401
PNG
(CHEMBL3805860)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1
Show InChI InChI=1S/C23H28N4O2S/c1-24-23(28)18-7-6-8-19(17-18)29-16-5-4-11-26-12-14-27(15-13-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
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n/an/a 10n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171402
PNG
(CHEMBL3805099)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc1F
Show InChI InChI=1S/C23H27FN4O2S/c1-25-23(29)19-16-17(8-9-20(19)24)30-15-5-4-10-27-11-13-28(14-12-27)22-18-6-2-3-7-21(18)31-26-22/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,29)
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n/an/a 12n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171468
PNG
(CHEMBL3804943)
Show SMILES CNC(=O)c1ccc(OC)c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O3/c1-26-23(29)17-8-9-20(30-2)21(16-17)31-15-4-3-10-27-11-13-28(14-12-27)19-7-5-6-18(24)22(19)25/h5-9,16H,3-4,10-15H2,1-2H3,(H,26,29)
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n/an/a 12n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171400
PNG
(CHEMBL3805518)
Show SMILES CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
Show InChI InChI=1S/C24H27F2N3O3/c1-27-24(30)20-15-18(5-7-21(20)26)31-13-3-2-10-29-11-8-16(9-12-29)23-19-6-4-17(25)14-22(19)32-28-23/h4-7,14-16H,2-3,8-13H2,1H3,(H,27,30)
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n/an/a 15n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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n/an/a 17n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171460
PNG
(CHEMBL3805826)
Show SMILES CCCCCNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C26H35Cl2N3O2/c1-2-3-4-13-29-26(32)21-9-7-10-22(20-21)33-19-6-5-14-30-15-17-31(18-16-30)24-12-8-11-23(27)25(24)28/h7-12,20H,2-6,13-19H2,1H3,(H,29,32)
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n/an/a 17n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171400
PNG
(CHEMBL3805518)
Show SMILES CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
Show InChI InChI=1S/C24H27F2N3O3/c1-27-24(30)20-15-18(5-7-21(20)26)31-13-3-2-10-29-11-8-16(9-12-29)23-19-6-4-17(25)14-22(19)32-28-23/h4-7,14-16H,2-3,8-13H2,1H3,(H,27,30)
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n/an/a 23n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171491
PNG
(CHEMBL3805046)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1F
Show InChI InChI=1S/C22H26Cl2FN3O2/c1-26-22(29)16-6-4-9-19(21(16)25)30-15-3-2-10-27-11-13-28(14-12-27)18-8-5-7-17(23)20(18)24/h4-9H,2-3,10-15H2,1H3,(H,26,29)
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n/an/a 30n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171406
PNG
(CHEMBL3804965)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3OC(F)(F)Oc23)ccc1F
Show InChI InChI=1S/C23H26F3N3O4/c1-27-22(30)17-15-16(7-8-18(17)24)31-14-3-2-9-28-10-12-29(13-11-28)19-5-4-6-20-21(19)33-23(25,26)32-20/h4-8,15H,2-3,9-14H2,1H3,(H,27,30)
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n/an/a 30n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171457
PNG
(CHEMBL3805077)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O2/c1-25-22(28)17-6-4-7-18(16-17)29-15-3-2-10-26-11-13-27(14-12-26)20-9-5-8-19(23)21(20)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)
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n/an/a 32n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50171392
PNG
(CHEMBL3805559)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1S/C24H28FN3O3/c1-26-24(29)18-5-4-6-20(15-18)30-14-3-2-11-28-12-9-17(10-13-28)23-21-8-7-19(25)16-22(21)31-27-23/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 35n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171476
PNG
(CHEMBL3806224)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1Cl
Show InChI InChI=1S/C22H26Cl3N3O2/c1-26-22(29)17-15-16(7-8-18(17)23)30-14-3-2-9-27-10-12-28(13-11-27)20-6-4-5-19(24)21(20)25/h4-8,15H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 35n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171402
PNG
(CHEMBL3805099)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc1F
Show InChI InChI=1S/C23H27FN4O2S/c1-25-23(29)19-16-17(8-9-20(19)24)30-15-5-4-10-27-11-13-28(14-12-27)22-18-6-2-3-7-21(18)31-26-22/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,25,29)
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n/an/a 35n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171486
PNG
(CHEMBL3805434)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc(c1)C(C)=O
Show InChI InChI=1S/C24H29Cl2N3O3/c1-17(30)18-14-19(24(31)27-2)16-20(15-18)32-13-4-3-8-28-9-11-29(12-10-28)22-7-5-6-21(25)23(22)26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,27,31)
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n/an/a 38n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171462
PNG
(CHEMBL3805884)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1F
Show InChI InChI=1S/C22H26Cl2FN3O2/c1-26-22(29)17-15-16(7-8-19(17)25)30-14-3-2-9-27-10-12-28(13-11-27)20-6-4-5-18(23)21(20)24/h4-8,15H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 39n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171404
PNG
(CHEMBL3805649)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)ccc1F
Show InChI InChI=1S/C24H28FN3O2S/c1-26-24(29)20-17-18(7-8-21(20)25)30-15-3-2-10-27-11-13-28(14-12-27)22-5-4-6-23-19(22)9-16-31-23/h4-9,16-17H,2-3,10-15H2,1H3,(H,26,29)
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n/an/a 43n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171392
PNG
(CHEMBL3805559)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1S/C24H28FN3O3/c1-26-24(29)18-5-4-6-20(15-18)30-14-3-2-11-28-12-9-17(10-13-28)23-21-8-7-19(25)16-22(21)31-27-23/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 46n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171458
PNG
(CHEMBL3806169)
Show SMILES NC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C21H25Cl2N3O2/c22-18-7-4-8-19(20(18)23)26-12-10-25(11-13-26)9-1-2-14-28-17-6-3-5-16(15-17)21(24)27/h3-8,15H,1-2,9-14H2,(H2,24,27)
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n/an/a 55n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171488
PNG
(CHEMBL3805327)
Show SMILES CNC(=O)c1ccc(Cl)c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C22H26Cl3N3O2/c1-26-22(29)16-7-8-17(23)20(15-16)30-14-3-2-9-27-10-12-28(13-11-27)19-6-4-5-18(24)21(19)25/h4-8,15H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 59n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171397
PNG
(CHEMBL3805376)
Show SMILES CNC(=O)c1ccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C22H27Cl2N3O2/c1-25-22(28)17-7-9-18(10-8-17)29-16-3-2-11-26-12-14-27(15-13-26)20-6-4-5-19(23)21(20)24/h4-10H,2-3,11-16H2,1H3,(H,25,28)
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n/an/a 70n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171404
PNG
(CHEMBL3805649)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc3sccc23)ccc1F
Show InChI InChI=1S/C24H28FN3O2S/c1-26-24(29)20-17-18(7-8-21(20)25)30-15-3-2-10-27-11-13-28(14-12-27)22-5-4-6-23-19(22)9-16-31-23/h4-9,16-17H,2-3,10-15H2,1H3,(H,26,29)
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n/an/a 80n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171485
PNG
(CHEMBL3806047)
Show SMILES CNC(=O)c1cc(C)cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O2/c1-17-14-18(23(29)26-2)16-19(15-17)30-13-4-3-8-27-9-11-28(12-10-27)21-7-5-6-20(24)22(21)25/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,26,29)
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n/an/a 90n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171403
PNG
(CHEMBL3805704)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc3sccc23)c1
Show InChI InChI=1S/C24H29N3O2S/c1-25-24(28)19-6-4-7-20(18-19)29-16-3-2-11-26-12-14-27(15-13-26)22-8-5-9-23-21(22)10-17-30-23/h4-10,17-18H,2-3,11-16H2,1H3,(H,25,28)
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n/an/a 91n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171399
PNG
(CHEMBL3805600)
Show SMILES CC(=O)Nc1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C22H27Cl2N3O2/c1-17(28)25-18-6-4-7-19(16-18)29-15-3-2-10-26-11-13-27(14-12-26)21-9-5-8-20(23)22(21)24/h4-9,16H,2-3,10-15H2,1H3,(H,25,28)
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n/an/a 98n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171459
PNG
(CHEMBL3805772)
Show SMILES CCNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O2/c1-2-26-23(29)18-7-5-8-19(17-18)30-16-4-3-11-27-12-14-28(15-13-27)21-10-6-9-20(24)22(21)25/h5-10,17H,2-4,11-16H2,1H3,(H,26,29)
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n/an/a 116n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50171400
PNG
(CHEMBL3805518)
Show SMILES CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
Show InChI InChI=1S/C24H27F2N3O3/c1-27-24(30)20-15-18(5-7-21(20)26)31-13-3-2-10-29-11-8-16(9-12-29)23-19-6-4-17(25)14-22(19)32-28-23/h4-7,14-16H,2-3,8-13H2,1H3,(H,27,30)
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n/an/a 120n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171398
PNG
(CHEMBL3804954)
Show SMILES CNC(=O)c1ccccc1OCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H27Cl2N3O2/c1-25-22(28)17-7-2-3-10-20(17)29-16-5-4-11-26-12-14-27(15-13-26)19-9-6-8-18(23)21(19)24/h2-3,6-10H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 167n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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n/an/a 170n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at alpha-1A adrenergic receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171491
PNG
(CHEMBL3805046)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1F
Show InChI InChI=1S/C22H26Cl2FN3O2/c1-26-22(29)16-6-4-9-19(21(16)25)30-15-3-2-10-27-11-13-28(14-12-27)18-8-5-7-17(23)20(18)24/h4-9H,2-3,10-15H2,1H3,(H,26,29)
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n/an/a 171n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171401
PNG
(CHEMBL3805860)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2nsc3ccccc23)c1
Show InChI InChI=1S/C23H28N4O2S/c1-24-23(28)18-7-6-8-19(17-18)29-16-5-4-11-26-12-14-27(15-13-26)22-20-9-2-3-10-21(20)30-25-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,28)
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n/an/a 180n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50171392
PNG
(CHEMBL3805559)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)c1
Show InChI InChI=1S/C24H28FN3O3/c1-26-24(29)18-5-4-6-20(15-18)30-14-3-2-11-28-12-9-17(10-13-28)23-21-8-7-19(25)16-22(21)31-27-23/h4-8,15-17H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 190n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171490
PNG
(CHEMBL3805515)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H29Cl2N3O3/c1-26-23(29)17-7-5-10-20(22(17)30-2)31-16-4-3-11-27-12-14-28(15-13-27)19-9-6-8-18(24)21(19)25/h5-10H,3-4,11-16H2,1-2H3,(H,26,29)
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n/an/a 202n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human dopamine D2 receptor measured after 60 mins by Ultra Lance cAMP assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171403
PNG
(CHEMBL3805704)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc3sccc23)c1
Show InChI InChI=1S/C24H29N3O2S/c1-25-24(28)19-6-4-7-20(18-19)29-16-3-2-11-26-12-14-27(15-13-26)22-8-5-9-23-21(22)10-17-30-23/h4-10,17-18H,2-3,11-16H2,1H3,(H,25,28)
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n/an/a 216n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50171400
PNG
(CHEMBL3805518)
Show SMILES CNC(=O)c1cc(OCCCCN2CCC(CC2)c2noc3cc(F)ccc23)ccc1F
Show InChI InChI=1S/C24H27F2N3O3/c1-27-24(30)20-15-18(5-7-21(20)26)31-13-3-2-10-29-11-8-16(9-12-29)23-19-6-4-17(25)14-22(19)32-28-23/h4-7,14-16H,2-3,8-13H2,1H3,(H,27,30)
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n/an/a 270n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at 5-HT2c receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171476
PNG
(CHEMBL3806224)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1Cl
Show InChI InChI=1S/C22H26Cl3N3O2/c1-26-22(29)17-15-16(7-8-18(17)23)30-14-3-2-9-27-10-12-28(13-11-27)20-6-4-5-19(24)21(20)25/h4-8,15H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 340n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171462
PNG
(CHEMBL3805884)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1F
Show InChI InChI=1S/C22H26Cl2FN3O2/c1-26-22(29)17-15-16(7-8-19(17)25)30-14-3-2-9-27-10-12-28(13-11-27)20-6-4-5-18(23)21(20)24/h4-8,15H,2-3,9-14H2,1H3,(H,26,29)
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n/an/a 360n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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n/an/a 420n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at histamine1 receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171461
PNG
(CHEMBL3805120)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1C
Show InChI InChI=1S/C23H29Cl2N3O2/c1-17-8-9-18(16-19(17)23(29)26-2)30-15-4-3-10-27-11-13-28(14-12-27)21-7-5-6-20(24)22(21)25/h5-9,16H,3-4,10-15H2,1-2H3,(H,26,29)
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n/an/a 460n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171486
PNG
(CHEMBL3805434)
Show SMILES CNC(=O)c1cc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc(c1)C(C)=O
Show InChI InChI=1S/C24H29Cl2N3O3/c1-17(30)18-14-19(24(31)27-2)16-20(15-18)32-13-4-3-8-28-9-11-29(12-10-28)22-7-5-6-21(25)23(22)26/h5-7,14-16H,3-4,8-13H2,1-2H3,(H,27,31)
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n/an/a 494n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171459
PNG
(CHEMBL3805772)
Show SMILES CCNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O2/c1-2-26-23(29)18-7-5-8-19(17-18)30-16-4-3-11-27-12-14-28(15-13-27)21-10-6-9-20(24)22(21)25/h5-10,17H,2-4,11-16H2,1H3,(H,26,29)
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n/an/a 670n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171490
PNG
(CHEMBL3805515)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H29Cl2N3O3/c1-26-23(29)17-7-5-10-20(22(17)30-2)31-16-4-3-11-27-12-14-28(15-13-27)19-9-6-8-18(24)21(19)25/h5-10H,3-4,11-16H2,1-2H3,(H,26,29)
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n/an/a 720n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171397
PNG
(CHEMBL3805376)
Show SMILES CNC(=O)c1ccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Show InChI InChI=1S/C22H27Cl2N3O2/c1-25-22(28)17-7-9-18(10-8-17)29-16-3-2-11-26-12-14-27(15-13-26)20-6-4-5-19(23)21(20)24/h4-10H,2-3,11-16H2,1H3,(H,25,28)
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n/an/a 820n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171468
PNG
(CHEMBL3804943)
Show SMILES CNC(=O)c1ccc(OC)c(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C23H29Cl2N3O3/c1-26-23(29)17-8-9-20(30-2)21(16-17)31-15-4-3-10-27-11-13-28(14-12-27)19-7-5-6-18(24)22(19)25/h5-9,16H,3-4,10-15H2,1-2H3,(H,26,29)
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n/an/a 840n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50171463
PNG
(CHEMBL3806091)
Show SMILES CNC(=O)c1cccc(OCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1C
Show InChI InChI=1S/C23H29Cl2N3O2/c1-17-18(23(29)26-2)7-5-10-21(17)30-16-4-3-11-27-12-14-28(15-13-27)20-9-6-8-19(24)22(20)25/h5-10H,3-4,11-16H2,1-2H3,(H,26,29)
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n/an/a 860n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at human 5-HT2A receptor assessed as calcium flux after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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n/an/a 868n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonistic activity at histamine1 receptor (unknown origin) after 10 mins by FLIPR assay


Bioorg Med Chem Lett 26: 3141-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.087
BindingDB Entry DOI: 10.7270/Q25M67N2
More data for this
Ligand-Target Pair
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