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Compile Data Set for Download or QSAR

Found 147 hits with Last Name = 'terracciano' and Initial = 's'   
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 1A


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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0.0210n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171886
PNG
(4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)16-2-1-3-17(13-16)27-8-6-26(7-9-27)10-11-31-28-20(29)18-14-4-5-15(12-14)19(18)21(28)30/h1-5,13-15,18-19H,6-12H2
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2.14n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171888
PNG
(4-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propoxy}...)
Show SMILES Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-3-1-4-18(14-17)25-10-8-24(9-11-25)7-2-12-29-26-21(27)19-15-5-6-16(13-15)20(19)22(26)28/h1,3-6,14-16,19-20H,2,7-13H2
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3.36n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171887
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-4-1-2-5-18(17)25-11-9-24(10-12-25)8-3-13-29-26-21(27)19-15-6-7-16(14-15)20(19)22(26)28/h1-2,4-7,15-16,19-20H,3,8-14H2
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4.13n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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5.13n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171890
PNG
(4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2
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7.12n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171894
PNG
(4-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-2-1-3-17(13-16)24-8-6-23(7-9-24)10-11-28-25-20(26)18-14-4-5-15(12-14)19(18)21(25)27/h1-5,13-15,18-19H,6-12H2
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27.1n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171891
PNG
(4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-4-az...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ccccn1 |c:6|
Show InChI InChI=1S/C21H26N4O3/c26-20-18-15-5-6-16(14-15)19(18)21(27)25(20)28-13-3-8-23-9-11-24(12-10-23)17-4-1-2-7-22-17/h1-2,4-7,15-16,18-19H,3,8-14H2
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30.3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171893
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethoxy}...)
Show SMILES COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H27N3O4/c1-28-18-5-3-2-4-17(18)24-10-8-23(9-11-24)12-13-29-25-21(26)19-15-6-7-16(14-15)20(19)22(25)27/h2-7,15-16,19-20H,8-14H2,1H3
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45n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171883
PNG
(4-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propoxy]-4-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C20H25N5O3/c26-18-16-14-3-4-15(13-14)17(16)19(27)25(18)28-12-2-7-23-8-10-24(11-9-23)20-21-5-1-6-22-20/h1,3-6,14-17H,2,7-13H2
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49.5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171883
PNG
(4-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propoxy]-4-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C20H25N5O3/c26-18-16-14-3-4-15(13-14)17(16)19(27)25(18)28-12-2-7-23-8-10-24(11-9-23)20-21-5-1-6-22-20/h1,3-6,14-17H,2,7-13H2
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118n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171892
PNG
(4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethoxy]-4-aza...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ccccn1 |c:6|
Show InChI InChI=1S/C20H24N4O3/c25-19-17-14-4-5-15(13-14)18(17)20(26)24(19)27-12-11-22-7-9-23(10-8-22)16-3-1-2-6-21-16/h1-6,14-15,17-18H,7-13H2
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382n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50171889
PNG
(4-[2-(4-Pyrimidin-2-yl-piperazin-1-yl)-ethoxy]-4-a...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C19H23N5O3/c25-17-15-13-2-3-14(12-13)16(15)18(26)24(17)27-11-10-22-6-8-23(9-7-22)19-20-4-1-5-21-19/h1-5,13-16H,6-12H2
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384n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171887
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-4-1-2-5-18(17)25-11-9-24(10-12-25)8-3-13-29-26-21(27)19-15-6-7-16(14-15)20(19)22(26)28/h1-2,4-7,15-16,19-20H,3,8-14H2
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423n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171888
PNG
(4-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propoxy}...)
Show SMILES Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-3-1-4-18(14-17)25-10-8-24(9-11-25)7-2-12-29-26-21(27)19-15-5-6-16(13-15)20(19)22(26)28/h1,3-6,14-16,19-20H,2,7-13H2
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547n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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670n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine D2 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171888
PNG
(4-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propoxy}...)
Show SMILES Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-3-1-4-18(14-17)25-10-8-24(9-11-25)7-2-12-29-26-21(27)19-15-5-6-16(13-15)20(19)22(26)28/h1,3-6,14-16,19-20H,2,7-13H2
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733n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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2.60E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171894
PNG
(4-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-2-1-3-17(13-16)24-8-6-23(7-9-24)10-11-28-25-20(26)18-14-4-5-15(12-14)19(18)21(25)27/h1-5,13-15,18-19H,6-12H2
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2.70E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171892
PNG
(4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethoxy]-4-aza...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ccccn1 |c:6|
Show InChI InChI=1S/C20H24N4O3/c25-19-17-14-4-5-15(13-14)18(17)20(26)24(19)27-12-11-22-7-9-23(10-8-22)16-3-1-2-6-21-16/h1-6,14-15,17-18H,7-13H2
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3.51E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171887
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES Clc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-4-1-2-5-18(17)25-11-9-24(10-12-25)8-3-13-29-26-21(27)19-15-6-7-16(14-15)20(19)22(26)28/h1-2,4-7,15-16,19-20H,3,8-14H2
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PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171886
PNG
(4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)16-2-1-3-17(13-16)27-8-6-26(7-9-27)10-11-31-28-20(29)18-14-4-5-15(12-14)19(18)21(28)30/h1-5,13-15,18-19H,6-12H2
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PubMed
4.01E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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4.51E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine D1 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50171886
PNG
(4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)16-2-1-3-17(13-16)27-8-6-26(7-9-27)10-11-31-28-20(29)18-14-4-5-15(12-14)19(18)21(28)30/h1-5,13-15,18-19H,6-12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine D2 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171883
PNG
(4-[3-(4-Pyrimidin-2-yl-piperazin-1-yl)-propoxy]-4-...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C20H25N5O3/c26-18-16-14-3-4-15(13-14)17(16)19(27)25(18)28-12-2-7-23-8-10-24(11-9-23)20-21-5-1-6-22-20/h1,3-6,14-17H,2,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171891
PNG
(4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-4-az...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ccccn1 |c:6|
Show InChI InChI=1S/C21H26N4O3/c26-20-18-15-5-6-16(14-15)19(18)21(27)25(20)28-13-3-8-23-9-11-24(12-10-23)17-4-1-2-7-22-17/h1-2,4-7,15-16,18-19H,3,8-14H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine D2 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50171890
PNG
(4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine D2 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50171890
PNG
(4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine D1 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50171886
PNG
(4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)16-2-1-3-17(13-16)27-8-6-26(7-9-27)10-11-31-28-20(29)18-14-4-5-15(12-14)19(18)21(28)30/h1-5,13-15,18-19H,6-12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine D1 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171890
PNG
(4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171893
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethoxy}...)
Show SMILES COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H27N3O4/c1-28-18-5-3-2-4-17(18)24-10-8-23(9-11-24)12-13-29-25-21(26)19-15-6-7-16(14-15)20(19)22(25)27/h2-7,15-16,19-20H,8-14H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171891
PNG
(4-[3-(4-Pyridin-2-yl-piperazin-1-yl)-propoxy]-4-az...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCCN1CCN(CC1)c1ccccn1 |c:6|
Show InChI InChI=1S/C21H26N4O3/c26-20-18-15-5-6-16(14-15)19(18)21(27)25(20)28-13-3-8-23-9-11-24(12-10-23)17-4-1-2-7-22-17/h1-2,4-7,15-16,18-19H,3,8-14H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171894
PNG
(4-{2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-2-1-3-17(13-16)24-8-6-23(7-9-24)10-11-28-25-20(26)18-14-4-5-15(12-14)19(18)21(25)27/h1-5,13-15,18-19H,6-12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171893
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethoxy}...)
Show SMILES COc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H27N3O4/c1-28-18-5-3-2-4-17(18)24-10-8-23(9-11-24)12-13-29-25-21(26)19-15-6-7-16(14-15)20(19)22(25)27/h2-7,15-16,19-20H,8-14H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171892
PNG
(4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethoxy]-4-aza...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ccccn1 |c:6|
Show InChI InChI=1S/C20H24N4O3/c25-19-17-14-4-5-15(13-14)18(17)20(26)24(19)27-12-11-22-7-9-23(10-8-22)16-3-1-2-6-21-16/h1-6,14-15,17-18H,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171890
PNG
(4-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethoxy}-...)
Show SMILES Clc1ccccc1N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:22|
Show InChI InChI=1S/C21H24ClN3O3/c22-16-3-1-2-4-17(16)24-9-7-23(8-10-24)11-12-28-25-20(26)18-14-5-6-15(13-14)19(18)21(25)27/h1-6,14-15,18-19H,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171886
PNG
(4-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:25|
Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)16-2-1-3-17(13-16)27-8-6-26(7-9-27)10-11-31-28-20(29)18-14-4-5-15(12-14)19(18)21(28)30/h1-5,13-15,18-19H,6-12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171889
PNG
(4-[2-(4-Pyrimidin-2-yl-piperazin-1-yl)-ethoxy]-4-a...)
Show SMILES O=C1C2C3CC(C=C3)C2C(=O)N1OCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C19H23N5O3/c25-17-15-13-2-3-14(12-13)16(15)18(26)24(17)27-11-10-22-6-8-23(9-7-22)19-20-4-1-5-21-19/h1-5,13-16H,6-12H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine D1 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:26|
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50171888
PNG
(4-{3-[4-(3-Chloro-phenyl)-piperazin-1-yl]-propoxy}...)
Show SMILES Clc1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:23|
Show InChI InChI=1S/C22H26ClN3O3/c23-17-3-1-4-18(14-17)25-10-8-24(9-11-25)7-2-12-29-26-21(27)19-15-5-6-16(13-15)20(19)22(26)28/h1,3-6,14-16,19-20H,2,7-13H2
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine D1 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1 |c:24|
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50005711
PNG
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)
Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|
Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Mashhad University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay


J Nat Prod 78: 2867-79 (2015)


Article DOI: 10.1021/acs.jnatprod.5b00700
BindingDB Entry DOI: 10.7270/Q2PG1VR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 3


(Homo sapiens (Human))
BDBM50317647
PNG
((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
Show InChI InChI=1S/C35H43N5O6/c1-22(41)31(42)17-7-3-6-15-27-32(43)38-28(20-24-21-36-26-14-9-8-13-25(24)26)33(44)39-29(19-23-11-4-2-5-12-23)35(46)40-18-10-16-30(40)34(45)37-27/h2,4-5,8-9,11-14,21-22,27-30,36,41H,3,6-7,10,15-20H2,1H3,(H,37,45)(H,38,43)(H,39,44)/t22-,27-,28-,29-,30+/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC3 expressed in HEK293 cells after 15 mins by fluorescence assay


Bioorg Med Chem 18: 3252-60 (2010)


Article DOI: 10.1016/j.bmc.2010.03.022
BindingDB Entry DOI: 10.7270/Q2BC3ZP6
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50317647
PNG
((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
Show InChI InChI=1S/C35H43N5O6/c1-22(41)31(42)17-7-3-6-15-27-32(43)38-28(20-24-21-36-26-14-9-8-13-25(24)26)33(44)39-29(19-23-11-4-2-5-12-23)35(46)40-18-10-16-30(40)34(45)37-27/h2,4-5,8-9,11-14,21-22,27-30,36,41H,3,6-7,10,15-20H2,1H3,(H,37,45)(H,38,43)(H,39,44)/t22-,27-,28-,29-,30+/m0/s1
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n/an/a 68n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC1 expressed in HEK293 cells after 15 mins by fluorescence assay


Bioorg Med Chem 18: 3252-60 (2010)


Article DOI: 10.1016/j.bmc.2010.03.022
BindingDB Entry DOI: 10.7270/Q2BC3ZP6
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50405790
PNG
(CHEMBL5284121)
Show SMILES CCNc1ccc(cc1[N+]([O-])=O)-c1c(N)nc(N)nc1CC
Show InChI InChI=1S/C14H18N6O2/c1-3-9-12(13(15)19-14(16)18-9)8-5-6-10(17-4-2)11(7-8)20(21)22/h5-7,17H,3-4H2,1-2H3,(H4,15,16,18,19)
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n/an/a 150n/an/an/an/an/an/a


TBA

Assay Description
Antagonist potency against carbachol induced inhibition of electrically stimulated guinea pig atria Muscarinic acetylcholine receptor


Citation and Details
More data for this
Ligand-Target Pair
Histone deacetylase 2


(Homo sapiens (Human))
BDBM50317647
PNG
((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...)
Show SMILES C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r|
Show InChI InChI=1S/C35H43N5O6/c1-22(41)31(42)17-7-3-6-15-27-32(43)38-28(20-24-21-36-26-14-9-8-13-25(24)26)33(44)39-29(19-23-11-4-2-5-12-23)35(46)40-18-10-16-30(40)34(45)37-27/h2,4-5,8-9,11-14,21-22,27-30,36,41H,3,6-7,10,15-20H2,1H3,(H,37,45)(H,38,43)(H,39,44)/t22-,27-,28-,29-,30+/m0/s1
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n/an/a 179n/an/an/an/an/an/a



Universit£ degli Studi di Salerno

Curated by ChEMBL


Assay Description
Inhibition of full length HDAC2 expressed in HEK293 cells after 15 mins by fluorescence assay


Bioorg Med Chem 18: 3252-60 (2010)


Article DOI: 10.1016/j.bmc.2010.03.022
BindingDB Entry DOI: 10.7270/Q2BC3ZP6
More data for this
Ligand-Target Pair
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50464480
PNG
(CHEMBL4282628)
Show SMILES [O-][N+](=O)c1cc(c(cc1F)-c1ccc(COc2cccc3ccccc23)cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H15FN2O5/c24-20-12-19(21(25(27)28)13-22(20)26(29)30)17-10-8-15(9-11-17)14-31-23-7-3-5-16-4-1-2-6-18(16)23/h1-13H,14H2
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n/an/a 180n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell microsomes using PGH2 as substrate assessed as reduction in PGE2 production preincubated ...


Eur J Med Chem 143: 1419-1427 (2018)


Article DOI: 10.1016/j.ejmech.2017.10.039
BindingDB Entry DOI: 10.7270/Q2G44SXG
More data for this
Ligand-Target Pair
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