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Compile Data Set for Download or QSAR

Found 2978 hits with Last Name = 'richter' and Initial = 'h'   
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
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50247054
PNG
(6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
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 0.120n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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 0.160n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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 0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268291
PNG
((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3
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 0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268323
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2
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 0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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 0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50179077
PNG
((4R,9aR)-6-bromo-4-methyl-1,2,3,4,9,9a-hexahydro-2...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Br)nc3N12
Show InChI InChI=1S/C11H14BrN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1
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 0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50269054
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H30F5N3O2/c1-16(2)30-9-5-18(6-10-30)34-19-3-4-20-17(13-19)14-21(32(20)15-24(27,28)29)22(33)31-11-7-23(25,26)8-12-31/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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 1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268293
PNG
((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2
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 1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50269053
PNG
((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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 1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268291
PNG
((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3
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 1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169263
PNG
((4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)cc3N12
Show InChI InChI=1S/C13H18N2/c1-9-3-4-11-6-12-8-14-7-10(2)15(12)13(11)5-9/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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 1.30n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169266
PNG
((4R,10aR)-4-Methyl-7-trifluoromethyl-1,2,3,4,10,10...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C(F)(F)F
Show InChI InChI=1S/C13H15F3N2/c1-8-6-17-7-11-4-9-2-3-10(13(14,15)16)5-12(9)18(8)11/h2-3,5,8,11,17H,4,6-7H2,1H3/t8-,11-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169267
PNG
((R)-7-Chloro-6-methyl-1,2,3,4,10,10a-hexahydro-pyr...)
Show SMILES Cc1c2N3CCNC[C@H]3Cc2ccc1Cl
Show InChI InChI=1S/C12H15ClN2/c1-8-11(13)3-2-9-6-10-7-14-4-5-15(10)12(8)9/h2-3,10,14H,4-7H2,1H3/t10-/m1/s1
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 1.5n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50179080
PNG
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169259
PNG
((4R,10aR)-4,6,7-Trimethyl-1,2,3,4,10,10a-hexahydro...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)c(C)c3N12
Show InChI InChI=1S/C14H20N2/c1-9-4-5-12-6-13-8-15-7-10(2)16(13)14(12)11(9)3/h4-5,10,13,15H,6-8H2,1-3H3/t10-,13-/m1/s1
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 1.70n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169261
PNG
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1
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 1.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169261
PNG
((4R,10aS)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11+/m1/s1
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 1.90n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268996
PNG
((3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268947
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...)
Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1
Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268323
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268451
PNG
(2-(ethoxycarbonyl)-1H-indole-5-carboxylic acid | C...)
Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268947
PNG
((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...)
Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1
Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50269055
PNG
((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(C(C)C)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C25H35F2N3O2/c1-17(2)28-11-7-20(8-12-28)32-21-5-6-22-19(15-21)16-23(30(22)18(3)4)24(31)29-13-9-25(26,27)10-14-29/h5-6,15-18,20H,7-14H2,1-4H3
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 2n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-RAMH from human histamine H3 receptor

Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50370569
PNG
(A-349,821 | A-349821)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50327479
PNG
((S)-7-bromo-2-(cyclopropylmethyl)-8-(1-isopropylpi...)
Show SMILES CC(C)N1CCC(CC1)Oc1cc2cc3C(=O)N(CC4CC4)C[C@H](C)n3c2cc1Br |r|
Show InChI InChI=1S/C24H32BrN3O2/c1-15(2)26-8-6-19(7-9-26)30-23-11-18-10-22-24(29)27(14-17-4-5-17)13-16(3)28(22)21(18)12-20(23)25/h10-12,15-17,19H,4-9,13-14H2,1-3H3/t16-/m0/s1
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 2n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-RAMH from human histamine H3 receptor

Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50269098
PNG
((4,4-difluoropiperidin-1-yl)(1-(4-fluorophenylsulf...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F3N3O4S/c1-19(2)32-13-9-22(10-14-32)38-23-5-8-25-20(17-23)18-26(27(35)33-15-11-28(30,31)12-16-33)34(25)39(36,37)24-6-3-21(29)4-7-24/h3-8,17-19,22H,9-16H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268997
PNG
((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50269099
PNG
(2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50268815
PNG
((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2c(F)cc(cc2F)-c2ccc(cc2)C#N)C1 |r|
Show InChI InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1
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 2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50179087
PNG
((4R,9aR)-6-[1-((S)-ethoxy)-ethyl]-4-methyl-1,2,3,4...)
Show SMILES CCO[C@@H](C)c1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
Show InChI InChI=1S/C15H23N3O/c1-4-19-11(3)14-6-5-12-7-13-9-16-8-10(2)18(13)15(12)17-14/h5-6,10-11,13,16H,4,7-9H2,1-3H3/t10-,11+,13-/m1/s1
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 2.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169268
PNG
((4R,10aR)-4,6-Dimethyl-1,2,3,4,10,10a-hexahydro-py...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3cccc(C)c3N12
Show InChI InChI=1S/C13H18N2/c1-9-4-3-5-11-6-12-8-14-7-10(2)15(12)13(9)11/h3-5,10,12,14H,6-8H2,1-2H3/t10-,12-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))		BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2A receptor evaluated by displacement of [125I]-DOI radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50179086
PNG
((4R,9aR)-4,6-dimethyl-1,2,3,4,9,9a-hexahydro-2,4a,...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(C)nc3N12
Show InChI InChI=1S/C12H17N3/c1-8-3-4-10-5-11-7-13-6-9(2)15(11)12(10)14-8/h3-4,9,11,13H,5-7H2,1-2H3/t9-,11-/m1/s1
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 2.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268996
PNG
((3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50269097
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3
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 3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50269054
PNG
((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H30F5N3O2/c1-16(2)30-9-5-18(6-10-30)34-19-3-4-20-17(13-19)14-21(32(20)15-24(27,28)29)22(33)31-11-7-23(25,26)8-12-31/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50269053
PNG
((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50269099
PNG
(2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268997
PNG
((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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 3.20n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2B receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))		BDBM50169264
PNG
((4R,10aR)-7-Chloro-4,6-dimethyl-1,2,3,4,10,10a-hex...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)c(C)c3N12
Show InChI InChI=1S/C13H17ClN2/c1-8-6-15-7-11-5-10-3-4-12(14)9(2)13(10)16(8)11/h3-4,8,11,15H,5-7H2,1-2H3/t8-,11-/m1/s1
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 3.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2B receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50179073
PNG
((4R,9aR)-6-Cyclopropylmethoxymethyl-4-methyl-1,2,3...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(COCC4CC4)nc3N12
Show InChI InChI=1S/C16H23N3O/c1-11-7-17-8-15-6-13-4-5-14(18-16(13)19(11)15)10-20-9-12-2-3-12/h4-5,11-12,15,17H,2-3,6-10H2,1H3/t11-,15-/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))		BDBM50169258
PNG
((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazi...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(cc3N12)C#N
Show InChI InChI=1S/C13H15N3/c1-9-7-15-8-12-5-11-3-2-10(6-14)4-13(11)16(9)12/h2-4,9,12,15H,5,7-8H2,1H3/t9-,12-/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



Vernalis Research Ltd.

Curated by ChEMBL


Assay Description
Binding affinity toward 5-HT2C receptor evaluated by displacement of [3H]-5-HT radioligand

Bioorg Med Chem Lett 15: 3604-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.074
BindingDB Entry DOI: 10.7270/Q2GQ6X87
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))		BDBM50268948
PNG
((5-(1-tert-butylpiperidin-4-yloxy)-1H-indol-2-yl)(...)
Show SMILES CC(C)(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C22H31N3O3/c1-22(2,3)25-8-6-17(7-9-25)28-18-4-5-19-16(14-18)15-20(23-19)21(26)24-10-12-27-13-11-24/h4-5,14-15,17,23H,6-13H2,1-3H3
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 4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting

J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50327478
PNG
((S)-7-bromo-8-(1-isopropylpiperidin-4-yloxy)-4-met...)
Show SMILES CC(C)N1CCC(CC1)Oc1cc2cc3C(=O)NC[C@H](C)n3c2cc1Br |r|
Show InChI InChI=1S/C20H26BrN3O2/c1-12(2)23-6-4-15(5-7-23)26-19-9-14-8-18-20(25)22-11-13(3)24(18)17(14)10-16(19)21/h8-10,12-13,15H,4-7,11H2,1-3H3,(H,22,25)/t13-/m0/s1
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 4n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-RAMH from human histamine H3 receptor

Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
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