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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50013539   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50131709
PNG
(5-Chloro-2-{7-[4-(2-ethoxy-phenyl)-piperazin-1-yl]...)
Show SMILES CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC3)C(=O)c3ccco3)c2=O)CC1
Show InChI InChI=1S/C32H43ClN6O4/c1-2-42-28-12-7-6-11-27(28)36-18-16-35(17-19-36)14-8-4-3-5-9-15-39-32(41)30(26(33)25-34-39)37-20-22-38(23-21-37)31(40)29-13-10-24-43-29/h6-7,10-13,24-25H,2-5,8-9,14-23H2,1H3
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0.350n/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))
BDBM50131714
PNG
(5-Chloro-4-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylme...)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1
Show InChI InChI=1S/C35H47ClN6O4/c1-44-31-12-6-5-11-30(31)40-21-17-38(18-22-40)15-9-3-2-4-10-16-42-35(43)34(29(36)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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0.400n/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))
BDBM50131707
PNG
(5-Chloro-4-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES COc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC3)C(=O)c3ccco3)c2=O)CC1
Show InChI InChI=1S/C31H41ClN6O4/c1-41-27-11-6-5-10-26(27)35-17-15-34(16-18-35)13-7-3-2-4-8-14-38-31(40)29(25(32)24-33-38)36-19-21-37(22-20-36)30(39)28-12-9-23-42-28/h5-6,9-12,23-24H,2-4,7-8,13-22H2,1H3
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0.420n/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))
BDBM50122242
PNG
(4-Chloro-5-{4-[2-(2-ethoxy-phenoxy)-ethyl]-piperaz...)
Show SMILES CCOc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCCCN2CCN(CC2)c2ccccc2OC)c(=O)c1Cl
Show InChI InChI=1S/C36H51ClN6O4/c1-3-46-33-15-9-10-16-34(33)47-28-27-40-21-25-42(26-22-40)31-29-38-43(36(44)35(31)37)18-12-6-4-5-11-17-39-19-23-41(24-20-39)30-13-7-8-14-32(30)45-2/h7-10,13-16,29H,3-6,11-12,17-28H2,1-2H3
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0.820n/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))
BDBM50122243
PNG
(4-Chloro-5-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-27(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(34)28(25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
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0.900n/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))
BDBM50131710
PNG
(5-Chloro-4-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylme...)
Show SMILES CCOc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1
Show InChI InChI=1S/C36H49ClN6O4/c1-2-45-32-13-7-6-12-31(32)41-22-18-39(19-23-41)16-10-4-3-5-11-17-43-36(44)35(30(37)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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1.02n/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))
BDBM50131712
PNG
(5-Chloro-4-[4-(furan-2-carbonyl)-piperazin-1-yl]-2...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC3)C(=O)c3ccco3)c2=O)CC1
Show InChI InChI=1S/C33H45ClN6O4/c1-26(2)44-29-12-7-6-11-28(29)37-18-16-36(17-19-37)14-8-4-3-5-9-15-40-33(42)31(27(34)25-35-40)38-20-22-39(23-21-38)32(41)30-13-10-24-43-30/h6-7,10-13,24-26H,3-5,8-9,14-23H2,1-2H3
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1.16n/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))
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50131711
PNG
(5-Chloro-4-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylme...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCCCCn2ncc(Cl)c(N3CCN(CC4COc5ccccc5O4)CC3)c2=O)CC1
Show InChI InChI=1S/C37H51ClN6O4/c1-29(2)47-33-13-7-6-12-32(33)42-22-18-40(19-23-42)16-10-4-3-5-11-17-44-37(45)36(31(38)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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1.52n/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))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2n/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))
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
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