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Compile Data Set for Download or QSAR

Found 2297 hits with Last Name = 'stewart' and Initial = 'ao'   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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
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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0.447n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(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
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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0.450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139374
PNG
((6-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H29N3O3/c1-18-3-2-9-27(18)10-8-22-16-21-15-19(5-7-24(21)31-22)23-6-4-20(17-26-23)25(29)28-11-13-30-14-12-28/h4-7,15-18H,2-3,8-14H2,1H3/t18-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139374
PNG
((6-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H29N3O3/c1-18-3-2-9-27(18)10-8-22-16-21-15-19(5-7-24(21)31-22)23-6-4-20(17-26-23)25(29)28-11-13-30-14-12-28/h4-7,15-18H,2-3,8-14H2,1H3/t18-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139403
PNG
((4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H30N2O3/c1-19-3-2-11-27(19)12-10-24-18-23-17-22(8-9-25(23)31-24)20-4-6-21(7-5-20)26(29)28-13-15-30-16-14-28/h4-9,17-19H,2-3,10-16H2,1H3/t19-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153255
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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0.700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4 allele


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139403
PNG
((4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H30N2O3/c1-19-3-2-11-27(19)12-10-24-18-23-17-22(8-9-25(23)31-24)20-4-6-21(7-5-20)26(29)28-13-15-30-16-14-28/h4-9,17-19H,2-3,10-16H2,1H3/t19-/m1/s1
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0.708n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139389
PNG
(4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
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
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0.950n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139389
PNG
(4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
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
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0.955n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177063
PNG
(3-(4-Bromo-phenyl)-9-dimethylamino-3H-pyrido[3',2'...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139382
PNG
((4-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-eth...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H34N2O3/c1-20-4-3-5-21(2)30(20)13-12-26-19-25-18-24(10-11-27(25)33-26)22-6-8-23(9-7-22)28(31)29-14-16-32-17-15-29/h6-11,18-21H,3-5,12-17H2,1-2H3/t20-,21+
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139382
PNG
((4-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-eth...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H34N2O3/c1-20-4-3-5-21(2)30(20)13-12-26-19-25-18-24(10-11-27(25)33-26)22-6-8-23(9-7-22)28(31)29-14-16-32-17-15-29/h6-11,18-21H,3-5,12-17H2,1-2H3/t20-,21+
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50200028
PNG
(2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipy...)
Show SMILES COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139374
PNG
((6-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H29N3O3/c1-18-3-2-9-27(18)10-8-22-16-21-15-19(5-7-24(21)31-22)23-6-4-20(17-26-23)25(29)28-11-13-30-14-12-28/h4-7,15-18H,2-3,8-14H2,1H3/t18-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139374
PNG
((6-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cn1)C(=O)N1CCOCC1
Show InChI InChI=1S/C25H29N3O3/c1-18-3-2-9-27(18)10-8-22-16-21-15-19(5-7-24(21)31-22)23-6-4-20(17-26-23)25(29)28-11-13-30-14-12-28/h4-7,15-18H,2-3,8-14H2,1H3/t18-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153255
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-N-m-tolyl-...)
Show SMILES COc1ccccc1N1CCN(CC(=O)Nc2cccc(C)c2)CC1
Show InChI InChI=1S/C20H25N3O2/c1-16-6-5-7-17(14-16)21-20(24)15-22-10-12-23(13-11-22)18-8-3-4-9-19(18)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139403
PNG
((4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H30N2O3/c1-19-3-2-11-27(19)12-10-24-18-23-17-22(8-9-25(23)31-24)20-4-6-21(7-5-20)26(29)28-13-15-30-16-14-28/h4-9,17-19H,2-3,10-16H2,1H3/t19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139408
PNG
((4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-eth...)
Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H30N2O4/c29-18-23-2-1-10-27(23)11-9-24-17-22-16-21(7-8-25(22)32-24)19-3-5-20(6-4-19)26(30)28-12-14-31-15-13-28/h3-8,16-17,23,29H,1-2,9-15,18H2/t23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-6b binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139408
PNG
((4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-eth...)
Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H30N2O4/c29-18-23-2-1-10-27(23)11-9-24-17-22-16-21(7-8-25(22)32-24)19-3-5-20(6-4-19)26(30)28-12-14-31-15-13-28/h3-8,16-17,23,29H,1-2,9-15,18H2/t23-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139403
PNG
((4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H30N2O3/c1-19-3-2-11-27(19)12-10-24-18-23-17-22(8-9-25(23)31-24)20-4-6-21(7-5-20)26(29)28-13-15-30-16-14-28/h4-9,17-19H,2-3,10-16H2,1H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
pBinding potency of the compound was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177097
PNG
(9-Dimethylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thie...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139380
PNG
(4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethy...)
Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N2O2/c23-14-16-3-5-17(6-4-16)18-7-8-22-19(12-18)13-21(26-22)9-11-24-10-1-2-20(24)15-25/h3-8,12-13,20,25H,1-2,9-11,15H2/t20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139380
PNG
(4-{2-[2-((S)-2-Hydroxymethyl-pyrrolidin-1-yl)-ethy...)
Show SMILES OC[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C22H22N2O2/c23-14-16-3-5-17(6-4-16)18-7-8-22-19(12-18)13-21(26-22)9-11-24-10-1-2-20(24)15-25/h3-8,12-13,20,25H,1-2,9-11,15H2/t20-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139383
PNG
((4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-et...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H32N2O3/c1-19-3-4-20(2)29(19)12-11-25-18-24-17-23(9-10-26(24)32-25)21-5-7-22(8-6-21)27(30)28-13-15-31-16-14-28/h5-10,17-20H,3-4,11-16H2,1-2H3/t19-,20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139383
PNG
((4-{2-[2-((2R,5R)-2,5-Dimethyl-pyrrolidin-1-yl)-et...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H32N2O3/c1-19-3-4-20(2)29(19)12-11-25-18-24-17-23(9-10-26(24)32-25)21-5-7-22(8-6-21)27(30)28-13-15-31-16-14-28/h5-10,17-20H,3-4,11-16H2,1-2H3/t19-,20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139388
PNG
(CHEMBL159565 | Morpholin-4-yl-{4-[2-(2-piperidin-1...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCC3)cc2c1
Show InChI InChI=1S/C26H30N2O3/c29-26(28-14-16-30-17-15-28)21-6-4-20(5-7-21)22-8-9-25-23(18-22)19-24(31-25)10-13-27-11-2-1-3-12-27/h4-9,18-19H,1-3,10-17H2
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139388
PNG
(CHEMBL159565 | Morpholin-4-yl-{4-[2-(2-piperidin-1...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCC3)cc2c1
Show InChI InChI=1S/C26H30N2O3/c29-26(28-14-16-30-17-15-28)21-6-4-20(5-7-21)22-8-9-25-23(18-22)19-24(31-25)10-13-27-11-2-1-3-12-27/h4-9,18-19H,1-3,10-17H2
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139407
PNG
(4-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-ethy...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N2O/c1-17-4-3-5-18(2)26(17)13-12-23-15-22-14-21(10-11-24(22)27-23)20-8-6-19(16-25)7-9-20/h6-11,14-15,17-18H,3-5,12-13H2,1-2H3/t17-,18+
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139407
PNG
(4-{2-[2-((2R,6S)-2,6-Dimethyl-piperidin-1-yl)-ethy...)
Show SMILES C[C@H]1CCC[C@@H](C)N1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N2O/c1-17-4-3-5-18(2)26(17)13-12-23-15-22-14-21(10-11-24(22)27-23)20-8-6-19(16-25)7-9-20/h6-11,14-15,17-18H,3-5,12-13H2,1-2H3/t17-,18+
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50153259
PNG
(2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[...)
Show SMILES Cc1cccc(NC(=O)CN2CCN(CC2)c2ccccc2C#N)c1
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-18(13-16)22-20(25)15-23-9-11-24(12-10-23)19-8-3-2-6-17(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-spiperone binding to human Dopamine receptor D4.4


Bioorg Med Chem Lett 14: 5095-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.068
BindingDB Entry DOI: 10.7270/Q23X863Q
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139402
PNG
((4-{2-[2-(2-Methyl-piperidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H32N2O3/c1-20-4-2-3-12-28(20)13-11-25-19-24-18-23(9-10-26(24)32-25)21-5-7-22(8-6-21)27(30)29-14-16-31-17-15-29/h5-10,18-20H,2-4,11-17H2,1H3
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139402
PNG
((4-{2-[2-(2-Methyl-piperidin-1-yl)-ethyl]-benzofur...)
Show SMILES CC1CCCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H32N2O3/c1-20-4-2-3-12-28(20)13-11-25-19-24-18-23(9-10-26(24)32-25)21-5-7-22(8-6-21)27(30)29-14-16-31-17-15-29/h5-10,18-20H,2-4,11-17H2,1H3
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
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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3.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N
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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3.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139385
PNG
(CHEMBL346562 | {4-[2-(2-Azepan-1-yl-ethyl)-benzofu...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1
Show InChI InChI=1S/C27H32N2O3/c30-27(29-15-17-31-18-16-29)22-7-5-21(6-8-22)23-9-10-26-24(19-23)20-25(32-26)11-14-28-12-3-1-2-4-13-28/h5-10,19-20H,1-4,11-18H2
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3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139385
PNG
(CHEMBL346562 | {4-[2-(2-Azepan-1-yl-ethyl)-benzofu...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1
Show InChI InChI=1S/C27H32N2O3/c30-27(29-15-17-31-18-16-29)22-7-5-21(6-8-22)23-9-10-26-24(19-23)20-25(32-26)11-14-28-12-3-1-2-4-13-28/h5-10,19-20H,1-4,11-18H2
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3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145073
PNG
(5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...)
Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human D4.4 receptor


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50150143
PNG
(2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139392
PNG
(CHEMBL422360 | Morpholin-4-yl-{6-[2-(2-pyrrolidin-...)
Show SMILES O=C(N1CCOCC1)c1ccc(nc1)-c1ccc2oc(CCN3CCCC3)cc2c1
Show InChI InChI=1S/C24H27N3O3/c28-24(27-11-13-29-14-12-27)19-3-5-22(25-17-19)18-4-6-23-20(15-18)16-21(30-23)7-10-26-8-1-2-9-26/h3-6,15-17H,1-2,7-14H2
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3.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139392
PNG
(CHEMBL422360 | Morpholin-4-yl-{6-[2-(2-pyrrolidin-...)
Show SMILES O=C(N1CCOCC1)c1ccc(nc1)-c1ccc2oc(CCN3CCCC3)cc2c1
Show InChI InChI=1S/C24H27N3O3/c28-24(27-11-13-29-14-12-27)19-3-5-22(25-17-19)18-4-6-23-20(15-18)16-21(30-23)7-10-26-8-1-2-9-26/h3-6,15-17H,1-2,7-14H2
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177076
PNG
(3-(4-Chloro-phenyl)-9-dimethylamino-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177065
PNG
(9-Dimethylamino-3-(2,4-dimethyl-phenyl)-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
Show InChI InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from mGluR1 in rat cerebellum membranes


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50139377
PNG
(4-[2-(2-Pyrrolidin-1-yl-ethyl)-benzofuran-5-yl]-be...)
Show SMILES N#Cc1ccc(cc1)-c1ccc2oc(CCN3CCCC3)cc2c1
Show InChI InChI=1S/C21H20N2O/c22-15-16-3-5-17(6-4-16)18-7-8-21-19(13-18)14-20(24-21)9-12-23-10-1-2-11-23/h3-8,13-14H,1-2,9-12H2
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4.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.032
BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145078
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)
Show SMILES COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-9-5-4-8-17(18)23-12-10-22(11-13-23)14-19-20-15-6-2-3-7-16(15)21-19/h2-9H,10-14H2,1H3,(H,20,21)
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
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