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PubMed code 8064802

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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))		BDBM50039787
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nc3ccccc3n2)CC1
Show InChI InChI=1S/C21H27N5O/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22-18-8-2-3-9-19(18)23-26/h2-5,8-11H,6-7,12-17H2,1H3
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 4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039784
PNG
(1-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-18-8-3-2-7-17(18)21-22-25/h2-5,7-10H,6,11-16H2,1H3
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 15n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039790
PNG
(1-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C21H27N5O/c1-27-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-19-9-3-2-8-18(19)22-23-26/h2-5,8-11H,6-7,12-17H2,1H3
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 17n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039785
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2nc3ccccc3n2)CC1
Show InChI InChI=1S/C20H25N5O/c1-26-20-10-5-4-9-19(20)24-15-13-23(14-16-24)11-6-12-25-21-17-7-2-3-8-18(17)22-25/h2-5,7-10H,6,11-16H2,1H3
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 24n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039786
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nc3ccccc3n2)CC1
Show InChI InChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-20-16-6-2-3-7-17(16)21-24/h2-9H,10-15H2,1H3
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 41n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039789
PNG
(1-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2nnc3ccccc23)CC1
Show InChI InChI=1S/C19H23N5O/c1-25-19-9-5-4-8-18(19)23-13-10-22(11-14-23)12-15-24-17-7-3-2-6-16(17)20-21-24/h2-9H,10-15H2,1H3
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 42n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039791
PNG
(1-Butyl-4-(2-methoxy-phenyl)-piperazine | CHEMBL26...)
Show SMILES CCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H24N2O/c1-3-4-9-16-10-12-17(13-11-16)14-7-5-6-8-15(14)18-2/h5-8H,3-4,9-13H2,1-2H3
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 57n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039788
PNG
(1-Ethyl-4-(2-methoxy-phenyl)-piperazine | CHEMBL91...)
Show SMILES CCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C13H20N2O/c1-3-14-8-10-15(11-9-14)12-6-4-5-7-13(12)16-2/h4-7H,3,8-11H2,1-2H3
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 203n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50039783
PNG
(1-(2-Methoxy-phenyl)-4-propyl-piperazine | 1-(2-Me...)
Show SMILES CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17-2/h4-7H,3,8-12H2,1-2H3
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 249n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Tested in vitro for receptor binding affinity against 5-hydroxytryptamine 1A receptor using radioligand [3H]-8-OH-DPAT

J Med Chem 37: 2754-60 (1994)


BindingDB Entry DOI: 10.7270/Q2R210FB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%