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Compile Data Set for Download or QSAR

Found 104 hits Enz. Inhib. hit(s) with all data for entry = 50041051   
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 2A


(Homo sapiens (Human))		BDBM50403964
PNG
(CHEMBL310183 | R-95292)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C18H19ClN2O2/c1-20(2)11-13-10-15-14-5-3-4-6-17(14)22-18-8-7-12(19)9-16(18)21(15)23-13/h3-9,13,15H,10-11H2,1-2H3
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n/an/a 1.90n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403972
PNG
(CHEMBL316438)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCCC1
Show InChI InChI=1S/C21H24N2O/c1-3-9-19-16(7-1)13-17-8-2-4-10-20(17)23-21(19)14-18(24-23)15-22-11-5-6-12-22/h1-4,7-10,18,21H,5-6,11-15H2
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n/an/a 3n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 3.40n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403964
PNG
(CHEMBL310183 | R-95292)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C18H19ClN2O2/c1-20(2)11-13-10-15-14-5-3-4-6-17(14)22-18-8-7-12(19)9-16(18)21(15)23-13/h3-9,13,15H,10-11H2,1-2H3
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n/an/a 3.80n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403973
PNG
(CHEMBL310018)
Show SMILES CN(C)CCCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C21H26N2O/c1-22(2)13-7-10-18-15-21-19-11-5-3-8-16(19)14-17-9-4-6-12-20(17)23(21)24-18/h3-6,8-9,11-12,18,21H,7,10,13-15H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403969
PNG
(CHEMBL83731)
Show SMILES NCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C17H18N2O/c18-11-14-10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)19(17)20-14/h1-8,14,17H,9-11,18H2
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n/an/a 5.60n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 7.10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 7.40n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 10n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403956
PNG
(CHEMBL84293)
Show SMILES CCN(CC)CC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C21H26N2O/c1-3-22(4-2)15-18-14-21-19-11-7-5-9-16(19)13-17-10-6-8-12-20(17)23(21)24-18/h5-12,18,21H,3-4,13-15H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403956
PNG
(CHEMBL84293)
Show SMILES CCN(CC)CC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C21H26N2O/c1-3-22(4-2)15-18-14-21-19-11-7-5-9-16(19)13-17-10-6-8-12-20(17)23(21)24-18/h5-12,18,21H,3-4,13-15H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403972
PNG
(CHEMBL316438)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCCC1
Show InChI InChI=1S/C21H24N2O/c1-3-9-19-16(7-1)13-17-8-2-4-10-20(17)23-21(19)14-18(24-23)15-22-11-5-6-12-22/h1-4,7-10,18,21H,5-6,11-15H2
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n/an/a 16n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403969
PNG
(CHEMBL83731)
Show SMILES NCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C17H18N2O/c18-11-14-10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)19(17)20-14/h1-8,14,17H,9-11,18H2
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n/an/a 16n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403973
PNG
(CHEMBL310018)
Show SMILES CN(C)CCCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C21H26N2O/c1-22(2)13-7-10-18-15-21-19-11-5-3-8-16(19)14-17-9-4-6-12-20(17)23(21)24-18/h3-6,8-9,11-12,18,21H,7,10,13-15H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 21n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403972
PNG
(CHEMBL316438)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCCC1
Show InChI InChI=1S/C21H24N2O/c1-3-9-19-16(7-1)13-17-8-2-4-10-20(17)23-21(19)14-18(24-23)15-22-11-5-6-12-22/h1-4,7-10,18,21H,5-6,11-15H2
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n/an/a 25n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403960
PNG
(CHEMBL79249)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)23-21(19)14-18(25-23)15-22-9-11-24-12-10-22/h1-8,18,21H,9-15H2
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n/an/a 26n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403957
PNG
(CHEMBL313189)
Show SMILES CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)12-11-17-14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22(20)23-17/h3-10,17,20H,11-14H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403956
PNG
(CHEMBL84293)
Show SMILES CCN(CC)CC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C21H26N2O/c1-3-22(4-2)15-18-14-21-19-11-7-5-9-16(19)13-17-10-6-8-12-20(17)23(21)24-18/h5-12,18,21H,3-4,13-15H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 43n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2C adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403966
PNG
(CHEMBL82714)
Show SMILES CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-20(14-21(2)3)13-19-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)22(19)23-20/h4-11,19H,12-14H2,1-3H3
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n/an/a 58n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403966
PNG
(CHEMBL82714)
Show SMILES CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-20(14-21(2)3)13-19-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)22(19)23-20/h4-11,19H,12-14H2,1-3H3
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n/an/a 61.7n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 3 receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403966
PNG
(CHEMBL82714)
Show SMILES CN(C)CC1(C)CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-20(14-21(2)3)13-19-17-10-6-4-8-15(17)12-16-9-5-7-11-18(16)22(19)23-20/h4-11,19H,12-14H2,1-3H3
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n/an/a 62n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403957
PNG
(CHEMBL313189)
Show SMILES CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)12-11-17-14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22(20)23-17/h3-10,17,20H,11-14H2,1-2H3
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n/an/a 83n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403957
PNG
(CHEMBL313189)
Show SMILES CN(C)CCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C20H24N2O/c1-21(2)12-11-17-14-20-18-9-5-3-7-15(18)13-16-8-4-6-10-19(16)22(20)23-17/h3-10,17,20H,11-14H2,1-2H3
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n/an/a 91n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403964
PNG
(CHEMBL310183 | R-95292)
Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C18H19ClN2O2/c1-20(2)11-13-10-15-14-5-3-4-6-17(14)22-18-8-7-12(19)9-16(18)21(15)23-13/h3-9,13,15H,10-11H2,1-2H3
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n/an/a 102n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 115n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 7 receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D4

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403960
PNG
(CHEMBL79249)
Show SMILES C(C1CC2N(O1)c1ccccc1Cc1ccccc21)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-3-7-19-16(5-1)13-17-6-2-4-8-20(17)23-21(19)14-18(25-23)15-22-9-11-24-12-10-22/h1-8,18,21H,9-15H2
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n/an/a 141n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403970
PNG
(CHEMBL309904)
Show SMILES CC(C)N(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(C)C
Show InChI InChI=1S/C23H30N2O/c1-16(2)24(17(3)4)15-20-14-23-21-11-7-5-9-18(21)13-19-10-6-8-12-22(19)25(23)26-20/h5-12,16-17,20,23H,13-15H2,1-4H3
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n/an/a 151n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D3

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 191n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-1A adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 195n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D2

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50403969
PNG
(CHEMBL83731)
Show SMILES NCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C17H18N2O/c18-11-14-10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)19(17)20-14/h1-8,14,17H,9-11,18H2
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n/an/a 200n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50403968
PNG
(CHEMBL310940)
Show SMILES CN1CCN(CC2CC3N(O2)c2ccccc2Cc2ccccc32)CC1
Show InChI InChI=1S/C22H27N3O/c1-23-10-12-24(13-11-23)16-19-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)25(22)26-19/h2-9,19,22H,10-16H2,1H3
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n/an/a 282n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 302n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D4

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50403970
PNG
(CHEMBL309904)
Show SMILES CC(C)N(CC1CC2N(O1)c1ccccc1Cc1ccccc21)C(C)C
Show InChI InChI=1S/C23H30N2O/c1-16(2)24(17(3)4)15-20-14-23-21-11-7-5-9-18(21)13-19-10-6-8-12-22(19)25(23)26-20/h5-12,16-17,20,23H,13-15H2,1-4H3
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n/an/a 324n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Dopamine receptor D3

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 372n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 1D receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned 5-hydroxytryptamine 1A receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-1A adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50403962
PNG
(CHEMBL81485)
Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3
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n/an/a 437n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50146360
PNG
(CHEMBL328573 | Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetr...)
Show SMILES CN(C)C[C@@H]1C[C@H]2N(O1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3/t16-,19+/m0/s1
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n/an/a 537n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-1A adrenergic receptor

Bioorg Med Chem Lett 12: 243-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00721-1
BindingDB Entry DOI: 10.7270/Q23J3F4C
More data for this
Ligand-Target Pair
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