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5 similar compounds to monomer 50122242

Compile data set for download or QSAR
Wt: 681.3
BDBM50122238
Wt: 695.3
BDBM50122239
Wt: 665.2
BDBM50131713
Wt: 679.2
BDBM50131706
Wt: 651.2
BDBM50131708

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50122238,50122239,50131713,50131706,50131708   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122238
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
Show InChI InChI=1S/C37H53ClN6O4/c1-3-46-33-15-9-8-14-31(33)42-24-20-40(21-25-42)18-12-6-5-7-13-19-44-37(45)36(38)32(30-39-44)43-26-22-41(23-27-43)28-29-48-35-17-11-10-16-34(35)47-4-2/h8-11,14-17,30H,3-7,12-13,18-29H2,1-2H3
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0.220n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor receptor in rat cerebral cortex using [3H]-8-OH-DPAT


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50122239
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
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0.260n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50122238
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
Show InChI InChI=1S/C37H53ClN6O4/c1-3-46-33-15-9-8-14-31(33)42-24-20-40(21-25-42)18-12-6-5-7-13-19-44-37(45)36(38)32(30-39-44)43-26-22-41(23-27-43)28-29-48-35-17-11-10-16-34(35)47-4-2/h8-11,14-17,30H,3-7,12-13,18-29H2,1-2H3
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0.430n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex using [3H]prazosin


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122239
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
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0.820n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122238
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
Show InChI InChI=1S/C37H53ClN6O4/c1-3-46-33-15-9-8-14-31(33)42-24-20-40(21-25-42)18-12-6-5-7-13-19-44-37(45)36(38)32(30-39-44)43-26-22-41(23-27-43)28-29-48-35-17-11-10-16-34(35)47-4-2/h8-11,14-17,30H,3-7,12-13,18-29H2,1-2H3
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1.32n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes


J Med Chem 46: 3555-8 (2003)


Article DOI: 10.1021/jm0307842
BindingDB Entry DOI: 10.7270/Q2VX0FWQ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50122238
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OCC)c(=O)c1Cl
Show InChI InChI=1S/C37H53ClN6O4/c1-3-46-33-15-9-8-14-31(33)42-24-20-40(21-25-42)18-12-6-5-7-13-19-44-37(45)36(38)32(30-39-44)43-26-22-41(23-27-43)28-29-48-35-17-11-10-16-34(35)47-4-2/h8-11,14-17,30H,3-7,12-13,18-29H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]rauwolscine


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50131706
PNG
(4-Chloro-5-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylme...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C37H51ClN6O4/c1-29(2)47-33-13-7-6-12-31(33)42-22-18-40(19-23-42)16-10-4-3-5-11-17-44-37(45)36(38)32(26-39-44)43-24-20-41(21-25-43)27-30-28-46-34-14-8-9-15-35(34)48-30/h6-9,12-15,26,29-30H,3-5,10-11,16-25,27-28H2,1-2H3
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2.47n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes


J Med Chem 46: 3555-8 (2003)


Article DOI: 10.1021/jm0307842
BindingDB Entry DOI: 10.7270/Q2VX0FWQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50122239
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
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2.54n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes


J Med Chem 46: 3555-8 (2003)


Article DOI: 10.1021/jm0307842
BindingDB Entry DOI: 10.7270/Q2VX0FWQ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50122239
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC(C)C)c(=O)c1Cl
Show InChI InChI=1S/C38H55ClN6O4/c1-4-47-35-16-10-11-17-36(35)48-29-28-42-22-26-44(27-23-42)33-30-40-45(38(46)37(33)39)19-13-7-5-6-12-18-41-20-24-43(25-21-41)32-14-8-9-15-34(32)49-31(2)3/h8-11,14-17,30-31H,4-7,12-13,18-29H2,1-3H3
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3.20n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor in rat cerebral cortex using [3H]rauwolscine


Bioorg Med Chem Lett 13: 171-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00932-0
BindingDB Entry DOI: 10.7270/Q2TM79GX
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50131708
PNG
(4-Chloro-5-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylme...)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C35H47ClN6O4/c1-44-31-12-6-5-11-29(31)40-21-17-38(18-22-40)15-9-3-2-4-10-16-42-35(43)34(36)30(25-37-42)41-23-19-39(20-24-41)26-28-27-45-32-13-7-8-14-33(32)46-28/h5-8,11-14,25,28H,2-4,9-10,15-24,26-27H2,1H3
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11.1n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes


J Med Chem 46: 3555-8 (2003)


Article DOI: 10.1021/jm0307842
BindingDB Entry DOI: 10.7270/Q2VX0FWQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50131713
PNG
(4-Chloro-5-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylme...)
Show SMILES CCOc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC4COc5ccccc5O4)CC3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C36H49ClN6O4/c1-2-45-32-13-7-6-12-30(32)41-22-18-39(19-23-41)16-10-4-3-5-11-17-43-36(44)35(37)31(26-38-43)42-24-20-40(21-25-42)27-29-28-46-33-14-8-9-15-34(33)47-29/h6-9,12-15,26,29H,2-5,10-11,16-25,27-28H2,1H3
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49.8n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor of rat cortex membranes


J Med Chem 46: 3555-8 (2003)


Article DOI: 10.1021/jm0307842
BindingDB Entry DOI: 10.7270/Q2VX0FWQ
More data for this
Ligand-Target Pair