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PubMed code 11327592

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


(Homo sapiens (Human))
BDBM50099016
PNG
(CHEMBL275964 | Cyclohexanecarboxylic acid {(S)-1-b...)
Show SMILES Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C22H30ClN5OS/c23-20-21(26-30-25-20)28-13-11-27(12-14-28)16-19(15-17-7-3-1-4-8-17)24-22(29)18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,24,29)/t19-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099015
PNG
(CHEMBL10796 | Cyclohexanecarboxylic acid {(R)-1-be...)
Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)C2CCCCC2)CC1
Show InChI InChI=1S/C24H35N5O2S/c1-27(24(30)20-11-7-4-8-12-20)21(17-19-9-5-3-6-10-19)18-28-13-15-29(16-14-28)22-23(31-2)26-32-25-22/h3,5-6,9-10,20-21H,4,7-8,11-18H2,1-2H3/t21-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099011
PNG
(1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...)
Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099014
PNG
(CHEMBL10793 | Cyclohexanecarboxylic acid {(R)-1-be...)
Show SMILES CN([C@@H](CN1CCN(CC1)c1nsnc1Cl)Cc1ccccc1)C(=O)C1CCCCC1
Show InChI InChI=1S/C23H32ClN5OS/c1-27(23(30)19-10-6-3-7-11-19)20(16-18-8-4-2-5-9-18)17-28-12-14-29(15-13-28)22-21(24)25-31-26-22/h2,4-5,8-9,19-20H,3,6-7,10-17H2,1H3/t20-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099013
PNG
(CHEMBL10603 | N-{(R)-1-Benzyl-2-[4-(4-methoxy-[1,2...)
Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2ccccc2)N(C)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C24H29N5O2S/c1-27(24(30)20-11-7-4-8-12-20)21(17-19-9-5-3-6-10-19)18-28-13-15-29(16-14-28)22-23(31-2)26-32-25-22/h3-12,21H,13-18H2,1-2H3/t21-/m1/s1
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9.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099012
PNG
(CHEMBL10764 | N-{(S)-1-Benzyl-2-[4-(4-chloro-[1,2,...)
Show SMILES Clc1nsnc1N1CCN(C[C@H](Cc2ccccc2)NC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C21H23ClN6OS/c22-19-20(26-30-25-19)28-12-10-27(11-13-28)15-18(14-16-4-2-1-3-5-16)24-21(29)17-6-8-23-9-7-17/h1-9,18H,10-15H2,(H,24,29)/t18-/m0/s1
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425n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Ability to displace [3H]-8-OH-DPAT from CHO cells stably transfected with human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50099011
PNG
(1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...)
Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1
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n/an/a 489n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Percent inhibition of the compound towards dopamine D3 receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50099011
PNG
(1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...)
Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Percent inhibition of the compound towards dopamine D4 receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50099011
PNG
(1-Methyl-cyclohexanecarboxylic acid {(R)-2-[4-(4-m...)
Show SMILES COc1nsnc1N1CCN(C[C@@H](Cc2cccnc2)NC(=O)C2(C)CCCCC2)CC1
Show InChI InChI=1S/C23H34N6O2S/c1-23(8-4-3-5-9-23)22(30)25-19(15-18-7-6-10-24-16-18)17-28-11-13-29(14-12-28)20-21(31-2)27-32-26-20/h6-7,10,16,19H,3-5,8-9,11-15,17H2,1-2H3,(H,25,30)/t19-/m1/s1
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n/an/a 3.52E+3n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Percent inhibition of the compound towards dopamine D2 receptor


Bioorg Med Chem Lett 11: 1069-71 (2001)


BindingDB Entry DOI: 10.7270/Q2SJ1JWX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%