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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'schlienger' and Initial = 'n'   
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))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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0.0300 -55.8n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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0.0460 -54.8n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.0830 -53.5n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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0.440 -49.6n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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0.5 -49.3n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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0.550 -49.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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1.30 -47.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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1.30 -47.1n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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1.60 -46.7n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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3.80 -44.7n/an/an/an/an/an/a4



ACADIA Pharmaceuticals Inc.



Assay Description
For the membrane binding, NIH-3T3 cells were grown to 70% confluence in 15-cm2 dishes and transfected with 10 ug of receptor plasmid DNA using Polyfe...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 0.0690n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139371
PNG
(eplivanserin)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#7]\[#6](=[#6]\[#6]=[#6]-1\[#6]=[#6]-[#6](=O)-[#6]=[#6]-1)-c1ccccc1F |c:11,15|
Show InChI InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,21H,13-14H2,1-2H3/b19-12+
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n/an/a 1n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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n/an/a 1.90n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 3n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 4.5n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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n/an/a 13n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM139370
PNG
(ACP-103 | Nuplazid | Pimavanserin | Pimavanserin h...)
Show SMILES CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
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n/an/a 91n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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n/an/a 100n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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n/an/a 200n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50232153
PNG
((1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethox...)
Show SMILES COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC
Show InChI InChI=1S/C22H28FNO3/c1-26-20-5-3-4-19(22(20)27-2)21(25)17-11-14-24(15-12-17)13-10-16-6-8-18(23)9-7-16/h3-9,17,21,25H,10-15H2,1-2H3
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n/an/a 540n/an/an/an/an/an/a



ACADIA Pharmaceuticals Inc.



Assay Description
R-SAT assays were performed as described previously (Weiner et al., 2001), with the following modifications. In brief, NIH-3T3 cells were grown to 80...


J Pharmacol Exp Ther 317: 910-8 (2006)


Article DOI: 10.1124/jpet.105.097006
BindingDB Entry DOI: 10.7270/Q269728N
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 3.98n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50415091
PNG
(CHEMBL576474)
Show SMILES Cc1c(C)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)[N+]([O-])=O |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11|
Show InChI InChI=1S/C15H20N2O3/c1-9-10(2)15(17(19)20)6-5-14(9)16-11-3-4-12(16)8-13(18)7-11/h5-6,11-13,18H,3-4,7-8H2,1-2H3/t11-,12-/m1/s1
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n/an/an/an/a 12.6n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415092
PNG
(CHEMBL570895)
Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)C#N |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11|
Show InChI InChI=1S/C15H17ClN2O/c1-9-14(5-2-10(8-17)15(9)16)18-11-3-4-12(18)7-13(19)6-11/h2,5,11-13,19H,3-4,6-7H2,1H3/t11-,12-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415093
PNG
(CHEMBL570463)
Show SMILES OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C1CC1 |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5|
Show InChI InChI=1S/C21H22N2O/c22-13-14-5-10-20(19-4-2-1-3-18(14)19)23-16-8-9-17(23)12-21(24,11-16)15-6-7-15/h1-5,10,15-17,24H,6-9,11-12H2/t16-,17-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415094
PNG
(CHEMBL578199)
Show SMILES OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C=C |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5|
Show InChI InChI=1S/C20H20N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h2-7,10,15-16,23H,1,8-9,11-12H2/t15-,16-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415095
PNG
(CHEMBL568786)
Show SMILES CC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:2:1:9:5.6,10:9:1.3.8:5.6,THB:0:1:9:5.6|
Show InChI InChI=1S/C19H20N2O/c1-19(22)10-14-7-8-15(11-19)21(14)18-9-6-13(12-20)16-4-2-3-5-17(16)18/h2-6,9,14-15,22H,7-8,10-11H2,1H3/t14-,15-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50258791
PNG
(4-(3-exo-Hydroxy-8-azabicyclo[3.2.1]oct-8-yl)napht...)
Show SMILES OC1CC2CCC(C1)N2c1ccc(C#N)c2ccccc12 |TLB:0:1:8:4.5,9:8:7.1.2:4.5|
Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415096
PNG
(CHEMBL568814)
Show SMILES CCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:3:2:10:6.7,11:10:2.4.9:6.7,THB:1:2:10:6.7|
Show InChI InChI=1S/C20H22N2O/c1-2-20(23)11-15-8-9-16(12-20)22(15)19-10-7-14(13-21)17-5-3-4-6-18(17)19/h3-7,10,15-16,23H,2,8-9,11-12H2,1H3/t15-,16-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415097
PNG
(CHEMBL570897)
Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415098
PNG
(CHEMBL570898)
Show SMILES N#Cc1ccc(N2CCCC2)c2ccccc12
Show InChI InChI=1S/C15H14N2/c16-11-12-7-8-15(17-9-3-4-10-17)14-6-2-1-5-13(12)14/h1-2,5-8H,3-4,9-10H2
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415099
PNG
(CHEMBL569985)
Show SMILES CCCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:2:3:11:7.8|
Show InChI InChI=1S/C21H24N2O/c1-2-11-21(24)12-16-8-9-17(13-21)23(16)20-10-7-15(14-22)18-5-3-4-6-19(18)20/h3-7,10,16-17,24H,2,8-9,11-13H2,1H3/t16-,17-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415100
PNG
(CHEMBL570413)
Show SMILES CC(C)C1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:1:3:11:7.8|
Show InChI InChI=1S/C21H24N2O/c1-14(2)21(24)11-16-8-9-17(12-21)23(16)20-10-7-15(13-22)18-5-3-4-6-19(18)20/h3-7,10,14,16-17,24H,8-9,11-12H2,1-2H3/t16-,17-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Mus musculus)
BDBM50415089
PNG
(CHEMBL570410)
Show SMILES COC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:1:2:9:5.6,10:9:2.3.8:5.6|
Show InChI InChI=1S/C19H20N2O/c1-22-16-10-14-7-8-15(11-16)21(14)19-9-6-13(12-20)17-4-2-3-5-18(17)19/h2-6,9,14-16H,7-8,10-11H2,1H3/t14-,15-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415088
PNG
(CHEMBL577196)
Show SMILES OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415087
PNG
(CHEMBL570237)
Show SMILES N#Cc1ccc(N2[C@@H]3CC[C@@H]2CCC3)c2ccccc12 |r,TLB:5:6:12.13.11:8.9|
Show InChI InChI=1S/C18H18N2/c19-12-13-8-11-18(17-7-2-1-6-16(13)17)20-14-4-3-5-15(20)10-9-14/h1-2,6-8,11,14-15H,3-5,9-10H2/t14-,15-/m0/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415086
PNG
(ACP-105 | CHEMBL570435)
Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13-/m1/s1
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ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM8885
PNG
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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n/an/an/an/a 3.16n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50415086
PNG
(ACP-105 | CHEMBL570435)
Show SMILES Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13-/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50415088
PNG
(CHEMBL577196)
Show SMILES OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C18H18N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-15,21H,6-7,9-10H2/t13-,14-/m1/s1
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n/an/an/an/a 1.58n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in human MDA-KB2 cells transfected with MMTV linked luciferase assessed as transcriptional activation by lucife...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50415090
PNG
(CHEMBL576275)
Show SMILES O=C1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C18H16N2O/c19-11-12-5-8-18(17-4-2-1-3-16(12)17)20-13-6-7-14(20)10-15(21)9-13/h1-5,8,13-14H,6-7,9-10H2/t13-,14-/m1/s1
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n/an/an/an/a 100n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfected with beta-galactosidase reporter gene assessed as cellular transf...


J Med Chem 52: 7186-91 (2009)


Article DOI: 10.1021/jm901149c
BindingDB Entry DOI: 10.7270/Q2SJ1MV9
More data for this
Ligand-Target Pair