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Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50007576   
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 1B


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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0.300n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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0.400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM30703
PNG
(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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0.700n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064806
PNG
(2-(4-Isopropyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H...)
Show SMILES CC(C)c1cc(C)c(CC2=NCCN2)c(C)c1
Show InChI InChI=1S/C15H22N2/c1-10(2)13-7-11(3)14(12(4)8-13)9-15-16-5-6-17-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
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1.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064816
PNG
(2-(4-tert-Butyl-2-methyl-benzyl)-4,5-dihydro-1H-im...)
Show SMILES Cc1cc(ccc1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-11-9-13(15(2,3)4)6-5-12(11)10-14-16-7-8-17-14/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
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6.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064818
PNG
(2-(4-tert-Butyl-2,6-dimethyl-phenyl)-acetamidine |...)
Show SMILES Cc1cc(cc(C)c1CC(N)=N)C(C)(C)C
Show InChI InChI=1S/C14H22N2/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H3,15,16)
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13n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM30703
PNG
(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Show SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
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14n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064806
PNG
(2-(4-Isopropyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H...)
Show SMILES CC(C)c1cc(C)c(CC2=NCCN2)c(C)c1
Show InChI InChI=1S/C15H22N2/c1-10(2)13-7-11(3)14(12(4)8-13)9-15-16-5-6-17-15/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
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37n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064820
PNG
(2-(2,4,6-Trimethyl-benzyl)-4,5-dihydro-1H-imidazol...)
Show SMILES Cc1cc(C)c(CC2=NCCN2)c(C)c1
Show InChI InChI=1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
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72n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064808
PNG
(2-(4-Bromo-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imi...)
Show SMILES Cc1cc(Br)cc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H15BrN2/c1-8-5-10(13)6-9(2)11(8)7-12-14-3-4-15-12/h5-6H,3-4,7H2,1-2H3,(H,14,15)
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74n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064810
PNG
(2-(4-tert-Butyl-2,6-dimethyl-benzyl)-1-methyl-4,5-...)
Show SMILES CN1CCN=C1Cc1c(C)cc(cc1C)C(C)(C)C
Show InChI InChI=1S/C17H26N2/c1-12-9-14(17(3,4)5)10-13(2)15(12)11-16-18-7-8-19(16)6/h9-10H,7-8,11H2,1-6H3
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86n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064813
PNG
(2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
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105n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064805
PNG
(2-(4-Isopropyl-benzyl)-4,5-dihydro-1H-imidazole | ...)
Show SMILES CC(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C13H18N2/c1-10(2)12-5-3-11(4-6-12)9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
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340n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064818
PNG
(2-(4-tert-Butyl-2,6-dimethyl-phenyl)-acetamidine |...)
Show SMILES Cc1cc(cc(C)c1CC(N)=N)C(C)(C)C
Show InChI InChI=1S/C14H22N2/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H3,15,16)
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600n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064816
PNG
(2-(4-tert-Butyl-2-methyl-benzyl)-4,5-dihydro-1H-im...)
Show SMILES Cc1cc(ccc1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C15H22N2/c1-11-9-13(15(2,3)4)6-5-12(11)10-14-16-7-8-17-14/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
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712n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064815
PNG
(3-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethy...)
Show SMILES Cc1ccc(O)c(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2O/c1-8-3-4-11(15)9(2)10(8)7-12-13-5-6-14-12/h3-4,15H,5-7H2,1-2H3,(H,13,14)
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1.04E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064812
PNG
(2-(3-Benzyloxy-2,4-dimethyl-benzyl)-4,5-dihydro-1H...)
Show SMILES Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-14-8-9-17(12-18-20-10-11-21-18)15(2)19(14)22-13-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H,20,21)
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1.10E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064822
PNG
(2-(4-tert-Butyl-2,6-dimethyl-phenyl)-ethylamine | ...)
Show SMILES Cc1cc(cc(C)c1CCN)C(C)(C)C
Show InChI InChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3
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1.36E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064808
PNG
(2-(4-Bromo-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imi...)
Show SMILES Cc1cc(Br)cc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H15BrN2/c1-8-5-10(13)6-9(2)11(8)7-12-14-3-4-15-12/h5-6H,3-4,7H2,1-2H3,(H,14,15)
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1.57E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064824
PNG
(2-(3-Methoxy-benzyl)-4,5-dihydro-1H-imidazole | CH...)
Show SMILES COc1cccc(CC2=NCCN2)c1
Show InChI InChI=1S/C11H14N2O/c1-14-10-4-2-3-9(7-10)8-11-12-5-6-13-11/h2-4,7H,5-6,8H2,1H3,(H,12,13)
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1.63E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064804
PNG
(3-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2,6-dimethy...)
Show SMILES Cc1ccc(CC2=NCCN2)c(C)c1O
Show InChI InChI=1S/C12H16N2O/c1-8-3-4-10(9(2)12(8)15)7-11-13-5-6-14-11/h3-4,15H,5-7H2,1-2H3,(H,13,14)
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1.90E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064804
PNG
(3-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2,6-dimethy...)
Show SMILES Cc1ccc(CC2=NCCN2)c(C)c1O
Show InChI InChI=1S/C12H16N2O/c1-8-3-4-10(9(2)12(8)15)7-11-13-5-6-14-11/h3-4,15H,5-7H2,1-2H3,(H,13,14)
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2.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
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2.21E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064823
PNG
(2-(4-Propyl-benzyl)-4,5-dihydro-1H-imidazole | CHE...)
Show SMILES CCCc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C13H18N2/c1-2-3-11-4-6-12(7-5-11)10-13-14-8-9-15-13/h4-7H,2-3,8-10H2,1H3,(H,14,15)
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2.38E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064821
PNG
(2-(4-Butyl-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES CCCCc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-12-5-7-13(8-6-12)11-14-15-9-10-16-14/h5-8H,2-4,9-11H2,1H3,(H,15,16)
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2.52E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064805
PNG
(2-(4-Isopropyl-benzyl)-4,5-dihydro-1H-imidazole | ...)
Show SMILES CC(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C13H18N2/c1-10(2)12-5-3-11(4-6-12)9-13-14-7-8-15-13/h3-6,10H,7-9H2,1-2H3,(H,14,15)
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2.78E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064820
PNG
(2-(2,4,6-Trimethyl-benzyl)-4,5-dihydro-1H-imidazol...)
Show SMILES Cc1cc(C)c(CC2=NCCN2)c(C)c1
Show InChI InChI=1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
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3.48E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064809
PNG
(3-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-phenol | CH...)
Show SMILES Oc1cccc(CC2=NCCN2)c1
Show InChI InChI=1S/C10H12N2O/c13-9-3-1-2-8(6-9)7-10-11-4-5-12-10/h1-3,6,13H,4-5,7H2,(H,11,12)
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3.74E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064812
PNG
(2-(3-Benzyloxy-2,4-dimethyl-benzyl)-4,5-dihydro-1H...)
Show SMILES Cc1ccc(CC2=NCCN2)c(C)c1OCc1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-14-8-9-17(12-18-20-10-11-21-18)15(2)19(14)22-13-16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3,(H,20,21)
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3.87E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064814
PNG
(2-(4-Bromo-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES Brc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C10H11BrN2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
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4.39E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064810
PNG
(2-(4-tert-Butyl-2,6-dimethyl-benzyl)-1-methyl-4,5-...)
Show SMILES CN1CCN=C1Cc1c(C)cc(cc1C)C(C)(C)C
Show InChI InChI=1S/C17H26N2/c1-12-9-14(17(3,4)5)10-13(2)15(12)11-16-18-7-8-19(16)6/h9-10H,7-8,11H2,1-6H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064826
PNG
(CHEMBL306699 | [2-(4-tert-Butyl-2,6-dimethyl-pheny...)
Show SMILES CNCCc1c(C)cc(cc1C)C(C)(C)C
Show InChI InChI=1S/C15H25N/c1-11-9-13(15(3,4)5)10-12(2)14(11)7-8-16-6/h9-10,16H,7-8H2,1-6H3
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>5.00E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064815
PNG
(3-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethy...)
Show SMILES Cc1ccc(O)c(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2O/c1-8-3-4-11(15)9(2)10(8)7-12-13-5-6-14-12/h3-4,15H,5-7H2,1-2H3,(H,13,14)
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5.79E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064813
PNG
(2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
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6.83E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064819
PNG
(2-(4-Ethyl-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES CCc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C12H16N2/c1-2-10-3-5-11(6-4-10)9-12-13-7-8-14-12/h3-6H,2,7-9H2,1H3,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50038638
PNG
(4-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-phenylamine...)
Show SMILES Nc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C10H13N3/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064807
PNG
(2-Biphenyl-4-ylmethyl-4,5-dihydro-1H-imidazole | C...)
Show SMILES C(C1=NCCN1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50064811
PNG
(2-(4-Nitro-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES [O-][N+](=O)c1ccc(CC2=[NH+]CC[N-]2)cc1
Show InChI InChI=1S/C10H10N3O2/c14-13(15)9-3-1-8(2-4-9)7-10-11-5-6-12-10/h1-4H,5-7H2/q-1/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064821
PNG
(2-(4-Butyl-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES CCCCc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-2-3-4-12-5-7-13(8-6-12)11-14-15-9-10-16-14/h5-8H,2-4,9-11H2,1H3,(H,15,16)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064823
PNG
(2-(4-Propyl-benzyl)-4,5-dihydro-1H-imidazole | CHE...)
Show SMILES CCCc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C13H18N2/c1-2-3-11-4-6-12(7-5-11)10-13-14-8-9-15-13/h4-7H,2-3,8-10H2,1H3,(H,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064807
PNG
(2-Biphenyl-4-ylmethyl-4,5-dihydro-1H-imidazole | C...)
Show SMILES C(C1=NCCN1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H16N2/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064819
PNG
(2-(4-Ethyl-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES CCc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C12H16N2/c1-2-10-3-5-11(6-4-10)9-12-13-7-8-14-12/h3-6H,2,7-9H2,1H3,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064826
PNG
(CHEMBL306699 | [2-(4-tert-Butyl-2,6-dimethyl-pheny...)
Show SMILES CNCCc1c(C)cc(cc1C)C(C)(C)C
Show InChI InChI=1S/C15H25N/c1-11-9-13(15(3,4)5)10-12(2)14(11)7-8-16-6/h9-10,16H,7-8H2,1-6H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064825
PNG
(2-Benzyl-1-methyl-4,5-dihydro-1H-imidazole | CHEMB...)
Show SMILES CN1CCN=C1Cc1ccccc1
Show InChI InChI=1S/C11H14N2/c1-13-8-7-12-11(13)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064822
PNG
(2-(4-tert-Butyl-2,6-dimethyl-phenyl)-ethylamine | ...)
Show SMILES Cc1cc(cc(C)c1CCN)C(C)(C)C
Show InChI InChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50038638
PNG
(4-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-phenylamine...)
Show SMILES Nc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C10H13N3/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM55436
PNG
(2-(phenylmethyl)-4,5-dihydro-1H-imidazole;hydrochl...)
Show SMILES C(C1=NCCN1)c1ccccc1
Show InChI InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50064814
PNG
(2-(4-Bromo-benzyl)-4,5-dihydro-1H-imidazole | CHEM...)
Show SMILES Brc1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C10H11BrN2/c11-9-3-1-8(2-4-9)7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
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