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Compile Data Set for Download or QSAR

Found 8989 hits with Last Name = 'liu' 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


(Rattus norvegicus (rat))
BDBM50434335
PNG
(CHEMBL2386729 | US9181275, 3)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=C(C)N2Cc3ccccc3CN=C2S1
Show InChI InChI=1S/C26H31N3OS/c1-19-7-5-14-28(19)15-6-16-30-24-12-10-21(11-13-24)25-20(2)29-18-23-9-4-3-8-22(23)17-27-26(29)31-25/h3-4,8-13,19H,5-7,14-18H2,1-2H3/t19-/m1/s1
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US Patent
0.0200 -61.1n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434337
PNG
(CHEMBL2386727 | US9181275, 1)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCC[C@H]2CO)cc1
Show InChI InChI=1S/C26H31N3O2S/c1-19-25(32-26-27-16-21-6-2-3-7-22(21)17-29(19)26)20-9-11-24(12-10-20)31-15-5-14-28-13-4-8-23(28)18-30/h2-3,6-7,9-12,23,30H,4-5,8,13-18H2,1H3/t23-/m0/s1
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US Patent
0.0320 -59.9n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319536
PNG
((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434336
PNG
(CHEMBL2386728 | US9181275, 2)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H31N3OS/c1-20-25(31-26-27-18-22-8-3-4-9-23(22)19-29(20)26)21-10-12-24(13-11-21)30-17-7-16-28-14-5-2-6-15-28/h3-4,8-13H,2,5-7,14-19H2,1H3
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US Patent
0.0500 -58.8n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319536
PNG
((R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrro...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)N1CCC(C)CC1
Show InChI InChI=1S/C22H31N3/c1-17-9-13-25(14-10-17)22-8-6-20-16-19(5-7-21(20)23-22)11-15-24-12-3-4-18(24)2/h5-8,16-18H,3-4,9-15H2,1-2H3/t18-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319552
PNG
((R)-6-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C
Show InChI InChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319549
PNG
((R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccccc1
Show InChI InChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319517
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrazi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnccn1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-11-24(15)12-8-16-4-6-18-17(13-16)5-7-19(23-18)20-14-21-9-10-22-20/h4-7,9-10,13-15H,2-3,8,11-12H2,1H3/t15-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319509
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C21H23N3/c1-16-4-3-12-24(16)13-10-17-6-8-20-18(14-17)7-9-21(23-20)19-5-2-11-22-15-19/h2,5-9,11,14-16H,3-4,10,12-13H2,1H3/t16-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319554
PNG
((R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)nc2ccccn12
Show InChI InChI=1S/C24H26N4/c1-17-6-5-13-27(17)15-12-19-8-10-21-20(16-19)9-11-22(26-21)24-18(2)25-23-7-3-4-14-28(23)24/h3-4,7-11,14,16-17H,5-6,12-13,15H2,1-2H3/t17-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319547
PNG
((R)-3-(4-chlorophenyl)-5-methyl-4-(6-(2-(2-methylp...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClN3O/c1-17-4-3-14-30(17)15-13-19-5-11-23-21(16-19)8-12-24(28-23)25-18(2)31-29-26(25)20-6-9-22(27)10-7-20/h5-12,16-17H,3-4,13-15H2,1-2H3/t17-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319528
PNG
((R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(C)c1C
Show InChI InChI=1S/C21H26N4/c1-15-5-4-11-25(15)12-10-17-6-8-20-18(13-17)7-9-21(23-20)19-14-22-24(3)16(19)2/h6-9,13-15H,4-5,10-12H2,1-3H3/t15-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224191
PNG
((R)-2-(1-(6-ethoxypyridazin-3-yl)-5-methyl-1H-pyra...)
Show SMILES CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224191
PNG
((R)-2-(1-(6-ethoxypyridazin-3-yl)-5-methyl-1H-pyra...)
Show SMILES CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319566
PNG
((R)-N,N-dimethyl-6-(5-methyl-4-(6-(2-(2-methylpyrr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccc(nn1)N(C)C
Show InChI InChI=1S/C26H31N7/c1-18-6-5-14-32(18)15-13-20-7-9-23-21(16-20)8-10-24(28-23)22-17-27-33(19(22)2)26-12-11-25(29-30-26)31(3)4/h7-12,16-18H,5-6,13-15H2,1-4H3/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319510
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyridi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccncc1
Show InChI InChI=1S/C21H23N3/c1-16-3-2-13-24(16)14-10-17-4-6-21-19(15-17)5-7-20(23-21)18-8-11-22-12-9-18/h4-9,11-12,15-16H,2-3,10,13-14H2,1H3/t16-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319534
PNG
((R)-2-(2-methoxypyrimidin-5-yl)-6-(2-(2-methylpyrr...)
Show SMILES COc1ncc(cn1)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C21H24N4O/c1-15-4-3-10-25(15)11-9-16-5-7-19-17(12-16)6-8-20(24-19)18-13-22-21(26-2)23-14-18/h5-8,12-15H,3-4,9-11H2,1-2H3/t15-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224192
PNG
((R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2cc(C)nn2c1C
Show InChI InChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224192
PNG
((R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2cc(C)nn2c1C
Show InChI InChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319552
PNG
((R)-6-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2ncnn2c1C
Show InChI InChI=1S/C21H23N5S/c1-14-4-3-10-25(14)11-9-16-5-7-18-17(12-16)6-8-19(24-18)20-15(2)26-21(27-20)22-13-23-26/h5-8,12-14H,3-4,9-11H2,1-2H3/t14-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50073587
PNG
(CHEMBL3408947)
Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1
Show InChI InChI=1S/C33H34N4O3/c1-20-17-37(18-21(2)40-20)19-23-6-4-22(5-7-23)8-12-29-26-11-9-24(14-31(26)36-35-29)28-16-33(28)27-15-25(39-3)10-13-30(27)34-32(33)38/h4-15,20-21,28H,16-19H2,1-3H3,(H,34,38)(H,35,36)/b12-8+/t20-,21+,28-,33-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Zhengzhou University

Curated by ChEMBL


Assay Description
Competitive inhibition of PLK-4 (unknown origin)


Eur J Med Chem 95: 35-40 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.020
BindingDB Entry DOI: 10.7270/Q2NG4SBV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319514
PNG
((R)-2,6-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc(C#N)c(C)nc1C
Show InChI InChI=1S/C24H26N4/c1-16-5-4-11-28(16)12-10-19-6-8-23-20(13-19)7-9-24(27-23)22-14-21(15-25)17(2)26-18(22)3/h6-9,13-14,16H,4-5,10-12H2,1-3H3/t16-/m1/s1
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0.280n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.280n/an/an/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells


Bioorg Med Chem 20: 4862-71 (2012)


Article DOI: 10.1016/j.bmc.2012.05.057
BindingDB Entry DOI: 10.7270/Q28P61K9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224189
PNG
((R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(nc1C)N1CCCC1
Show InChI InChI=1S/C25H31N5/c1-18-6-5-14-29(18)15-11-20-7-9-23-21(16-20)8-10-24(28-23)22-17-26-25(27-19(22)2)30-12-3-4-13-30/h7-10,16-18H,3-6,11-15H2,1-2H3/t18-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224189
PNG
((R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(nc1C)N1CCCC1
Show InChI InChI=1S/C25H31N5/c1-18-6-5-14-29(18)15-11-20-7-9-23-21(16-20)8-10-24(28-23)22-17-26-25(27-19(22)2)30-12-3-4-13-30/h7-10,16-18H,3-6,11-15H2,1-2H3/t18-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50256492
PNG
(CHEMBL480570 | N7-(2-(4-(2,4-difluorophenyl)pipera...)
Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1nccnc1C
Show InChI InChI=1S/C23H26F2N10/c1-15-21(28-6-5-27-15)22-29-20-14-19(30-23(26)35(20)31-22)32(2)7-8-33-9-11-34(12-10-33)18-4-3-16(24)13-17(18)25/h3-6,13-14H,7-12H2,1-2H3,(H2,26,30)
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 967-71 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50256419
PNG
(CHEMBL480542 | N7-(2-(4-(2,4-difluorophenyl)pipera...)
Show SMILES CN(CCN1CCN(CC1)c1ccc(F)cc1F)c1cc2nc(nn2c(N)n1)-c1cnco1
Show InChI InChI=1S/C21H23F2N9O/c1-29(4-5-30-6-8-31(9-7-30)16-3-2-14(22)10-15(16)23)18-11-19-26-20(17-12-25-13-33-17)28-32(19)21(24)27-18/h2-3,10-13H,4-9H2,1H3,(H2,24,27)
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 967-71 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50256362
PNG
(CHEMBL470942 | N7-(cyclopropylmethyl)-N7-(2-(4-(2,...)
Show SMILES Nc1nc(cc2nc(nn12)-c1ccco1)N(CCN1CCN(CC1)c1ccc(F)cc1F)CC1CC1
Show InChI InChI=1S/C25H28F2N8O/c26-18-5-6-20(19(27)14-18)33-10-7-32(8-11-33)9-12-34(16-17-3-4-17)22-15-23-29-24(21-2-1-13-36-21)31-35(23)25(28)30-22/h1-2,5-6,13-15,17H,3-4,7-12,16H2,(H2,28,30)
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 967-71 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.075
BindingDB Entry DOI: 10.7270/Q2CC10KT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319549
PNG
((R)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(C)onc1-c1ccccc1
Show InChI InChI=1S/C26H27N3O/c1-18-7-6-15-29(18)16-14-20-10-12-23-22(17-20)11-13-24(27-23)25-19(2)30-28-26(25)21-8-4-3-5-9-21/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319560
PNG
((R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1ccncc1
Show InChI InChI=1S/C25H26N4S/c1-17-4-3-14-29(17)15-11-19-5-7-22-21(16-19)6-8-23(28-22)24-18(2)27-25(30-24)20-9-12-26-13-10-20/h5-10,12-13,16-17H,3-4,11,14-15H2,1-2H3/t17-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319557
PNG
((R)-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(s1)C#N
Show InChI InChI=1S/C21H21N3S/c1-15-3-2-11-24(15)12-10-16-4-7-19-17(13-16)5-8-20(23-19)21-9-6-18(14-22)25-21/h4-9,13,15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50434334
PNG
(CHEMBL2386730 | US9181275, 4)
Show SMILES CC1=C(SC2=NCc3ccccc3CN12)c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H29N3O2S/c1-19-24(31-25-26-17-21-5-2-3-6-22(21)18-28(19)25)20-7-9-23(10-8-20)30-14-4-11-27-12-15-29-16-13-27/h2-3,5-10H,4,11-18H2,1H3
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US Patent
0.324 -54.2n/an/an/an/an/an/a25



AbbVie Inc.

US Patent


Assay Description
To determine the effectiveness of representative compounds of this invention as histamine-3 receptor ligands (H3 receptor ligands), the following tes...


US Patent US9181275 (2015)


BindingDB Entry DOI: 10.7270/Q2R49PJP
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224188
PNG
((R)-2-methyl-3-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc2cccnc2nc1C
Show InChI InChI=1S/C25H26N4/c1-17-5-4-13-29(17)14-11-19-7-9-23-20(15-19)8-10-24(28-23)22-16-21-6-3-12-26-25(21)27-18(22)2/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224188
PNG
((R)-2-methyl-3-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc2cccnc2nc1C
Show InChI InChI=1S/C25H26N4/c1-17-5-4-13-29(17)14-11-19-7-9-23-20(15-19)8-10-24(28-23)22-16-21-6-3-12-26-25(21)27-18(22)2/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319543
PNG
((R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1ccccn1
Show InChI InChI=1S/C25H26N4S/c1-17-6-5-14-29(17)15-12-19-8-10-21-20(16-19)9-11-22(28-21)24-18(2)27-25(30-24)23-7-3-4-13-26-23/h3-4,7-11,13,16-17H,5-6,12,14-15H2,1-2H3/t17-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319544
PNG
((R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cccnc1
Show InChI InChI=1S/C25H26N4S/c1-17-5-4-13-29(17)14-11-19-7-9-22-20(15-19)8-10-23(28-22)24-18(2)27-25(30-24)21-6-3-12-26-16-21/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319541
PNG
((R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(nc1C)-c1cnccn1
Show InChI InChI=1S/C24H25N5S/c1-16-4-3-12-29(16)13-9-18-5-7-20-19(14-18)6-8-21(28-20)23-17(2)27-24(30-23)22-15-25-10-11-26-22/h5-8,10-11,14-16H,3-4,9,12-13H2,1-2H3/t16-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319513
PNG
((R)-2-(2,6-dimethylpyridin-3-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C
Show InChI InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319551
PNG
((R)-3-methyl-2-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc2nc3ccccc3n2c1C
Show InChI InChI=1S/C26H26N4S/c1-17-6-5-14-29(17)15-13-19-9-11-21-20(16-19)10-12-23(27-21)25-18(2)30-24-8-4-3-7-22(24)28-26(30)31-25/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3/t17-/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
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