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11 similar compounds to monomer 50101664

Compile data set for download or QSAR
Wt: 447.5
BDBM50073026
Wt: 418.4
BDBM50101649
Wt: 413.5
BDBM50101650
Wt: 489.6
BDBM50101651
Wt: 449.5
BDBM50101652
Wt: 465.9
BDBM50101654
Wt: 510.0
BDBM50101655
Wt: 475.5
BDBM50101657
Wt: 475.5
BDBM50101660
Wt: 399.4
BDBM50101662
Wt: 496.0
BDBM50101666

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50073026,50101649,50101650,50101651,50101652,50101654,50101655,50101657,50101660,50101662,50101666   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101651
PNG
(5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
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0.180n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101657
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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0.190n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101657
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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0.25n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101654
PNG
(5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.25n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101666
PNG
(5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3
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0.280n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101654
PNG
(5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101652
PNG
(5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.320n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101666
PNG
(5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3
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0.410n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101651
PNG
(5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
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0.430n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101655
PNG
(5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3
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0.440n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101652
PNG
(5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.490n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101651
PNG
(5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
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0.640n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101654
PNG
(5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.75n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101650
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
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0.890n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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0.930n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101655
PNG
(5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3
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1.44n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101657
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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1.45n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101650
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
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1.48n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101660
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O3/c1-20(33)24-25(21-10-5-4-6-11-21)29-30(2)27(34)26(24)28-14-9-15-31-16-18-32(19-17-31)22-12-7-8-13-23(22)35-3/h4-8,10-13,28H,9,14-19H2,1-3H3
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1.51n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101662
PNG
(5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3
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2.29n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101662
PNG
(5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3
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3.20n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101652
PNG
(5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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3.77n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101655
PNG
(5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3
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3.92n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101666
PNG
(5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3
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3.95n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101660
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O3/c1-20(33)24-25(21-10-5-4-6-11-21)29-30(2)27(34)26(24)28-14-9-15-31-16-18-32(19-17-31)22-12-7-8-13-23(22)35-3/h4-8,10-13,28H,9,14-19H2,1-3H3
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4.32n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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4.75n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101649
PNG
(5-Acetyl-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-17(29)21-22(18-9-5-4-6-10-18)25-26(2)24(30)23(21)28-15-13-27(14-16-28)19-11-7-8-12-20(19)31-3/h4-12H,13-16H2,1-3H3
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>10n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101651
PNG
(5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(=O)C(C)C)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C28H35N5O3/c1-20(2)27(34)24-25(21-10-6-5-7-11-21)30-31(3)28(35)26(24)29-14-15-32-16-18-33(19-17-32)22-12-8-9-13-23(22)36-4/h5-13,20,29H,14-19H2,1-4H3
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10.2n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101654
PNG
(5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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11.6n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101662
PNG
(5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3
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13n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101660
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O3/c1-20(33)24-25(21-10-5-4-6-11-21)29-30(2)27(34)26(24)28-14-9-15-31-16-18-32(19-17-31)22-12-7-8-13-23(22)35-3/h4-8,10-13,28H,9,14-19H2,1-3H3
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20.3n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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22.1n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101652
PNG
(5-Acetyl-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2F)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28FN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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24.1n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101650
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
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34.5n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101662
PNG
(5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C21H29N5O3/c1-15-19(16(2)27)20(21(28)24(3)23-15)22-9-10-25-11-13-26(14-12-25)17-7-5-6-8-18(17)29-4/h5-8,22H,9-14H2,1-4H3
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49.8n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101650
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(C)nn(C)c2=O)CC1
Show InChI InChI=1S/C22H31N5O3/c1-16-20(17(2)28)21(22(29)25(3)24-16)23-10-7-11-26-12-14-27(15-13-26)18-8-5-6-9-19(18)30-4/h5-6,8-9,23H,7,10-15H2,1-4H3
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53.4n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101666
PNG
(5-Acetyl-4-{2-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H30ClN5O3/c1-18(33)23-24(19-7-5-4-6-8-19)29-30(2)26(34)25(23)28-11-12-31-13-15-32(16-14-31)21-17-20(27)9-10-22(21)35-3/h4-10,17,28H,11-16H2,1-3H3
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76.2n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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123n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101660
PNG
(5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H33N5O3/c1-20(33)24-25(21-10-5-4-6-11-21)29-30(2)27(34)26(24)28-14-9-15-31-16-18-32(19-17-31)22-12-7-8-13-23(22)35-3/h4-8,10-13,28H,9,14-19H2,1-3H3
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135n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50101649
PNG
(5-Acetyl-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-17(29)21-22(18-9-5-4-6-10-18)25-26(2)24(30)23(21)28-15-13-27(14-16-28)19-11-7-8-12-20(19)31-3/h4-12H,13-16H2,1-3H3
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163n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1A-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50101649
PNG
(5-Acetyl-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-17(29)21-22(18-9-5-4-6-10-18)25-26(2)24(30)23(21)28-15-13-27(14-16-28)19-11-7-8-12-20(19)31-3/h4-12H,13-16H2,1-3H3
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259n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1B-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101657
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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406n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101655
PNG
(5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piper...)
Show SMILES COc1ccc(Cl)cc1N1CCN(CCCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C27H32ClN5O3/c1-19(34)24-25(20-8-5-4-6-9-20)30-31(2)27(35)26(24)29-12-7-13-32-14-16-33(17-15-32)22-18-21(28)10-11-23(22)36-3/h4-6,8-11,18,29H,7,12-17H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50101649
PNG
(5-Acetyl-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccccc1N1CCN(CC1)c1c(C(C)=O)c(nn(C)c1=O)-c1ccccc1
Show InChI InChI=1S/C24H26N4O3/c1-17(29)21-22(18-9-5-4-6-10-18)25-26(2)24(30)23(21)28-15-13-27(14-16-28)19-11-7-8-12-20(19)31-3/h4-12H,13-16H2,1-3H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 44: 2403-10 (2001)


Article DOI: 10.1021/jm0009336
BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair