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PubMed code 19443215

Compile data set for download or QSAR
Found 74 hits of Enzyme Inhibition Constant Data   
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))
BDBM50293634
PNG
(CHEMBL569374 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2cnco2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C18H22BrN3O3/c19-15-11-14(5-6-21-18(23)17-12-20-13-25-17)3-4-16(15)24-10-9-22-7-1-2-8-22/h3-4,11-13H,1-2,5-10H2,(H,21,23)
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30n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293636
PNG
(CHEMBL561293 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2nccs2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C18H22BrN3O2S/c19-15-13-14(5-6-20-17(23)18-21-7-12-25-18)3-4-16(15)24-11-10-22-8-1-2-9-22/h3-4,7,12-13H,1-2,5-6,8-11H2,(H,20,23)
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30n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293623
PNG
(CHEMBL551841 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1csc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O2S/c20-15-12-18(26-13-15)19(24)22-6-5-14-3-4-17(16(21)11-14)25-10-9-23-7-1-2-8-23/h3-4,11-13H,1-2,5-10H2,(H,22,24)
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80n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293637
PNG
(CHEMBL551488 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2cncs2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C18H22BrN3O2S/c19-15-11-14(5-6-21-18(23)17-12-20-13-25-17)3-4-16(15)24-10-9-22-7-1-2-8-22/h3-4,11-13H,1-2,5-10H2,(H,21,23)
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120n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293618
PNG
(CHEMBL563684 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Cn1cccc1C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C20H26BrN3O2/c1-23-10-4-5-18(23)20(25)22-9-8-16-6-7-19(17(21)15-16)26-14-13-24-11-2-3-12-24/h4-7,10,15H,2-3,8-9,11-14H2,1H3,(H,22,25)
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130n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293613
PNG
(CHEMBL554742 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2ccc[nH]2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C19H24BrN3O2/c20-16-14-15(7-9-22-19(24)17-4-3-8-21-17)5-6-18(16)25-13-12-23-10-1-2-11-23/h3-6,8,14,21H,1-2,7,9-13H2,(H,22,24)
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150n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293628
PNG
(CHEMBL561228 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1ccc(o1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O3/c20-15-13-14(7-8-22-19(24)17-5-6-18(21)26-17)3-4-16(15)25-12-11-23-9-1-2-10-23/h3-6,13H,1-2,7-12H2,(H,22,24)
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170n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293608
PNG
(CHEMBL561355 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1c[nH]c(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C19H23Br2N3O2/c20-15-12-17(23-13-15)19(25)22-6-5-14-3-4-18(16(21)11-14)26-10-9-24-7-1-2-8-24/h3-4,11-13,23H,1-2,5-10H2,(H,22,25)
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190n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293639
PNG
(CHEMBL551693 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cccc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H24Br2N2O2/c22-18-5-3-4-17(15-18)21(26)24-9-8-16-6-7-20(19(23)14-16)27-13-12-25-10-1-2-11-25/h3-7,14-15H,1-2,8-13H2,(H,24,26)
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210n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293638
PNG
(CHEMBL560629 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1cccc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H24BrClN2O2/c22-19-14-16(6-7-20(19)27-13-12-25-10-1-2-11-25)8-9-24-21(26)17-4-3-5-18(23)15-17/h3-7,14-15H,1-2,8-13H2,(H,24,26)
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250n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293633
PNG
(CHEMBL560230 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H23BrF3N3O2/c22-16-14-15(6-7-18(16)30-13-12-28-10-1-2-11-28)8-9-26-20(29)17-4-3-5-19(27-17)21(23,24)25/h3-7,14H,1-2,8-13H2,(H,26,29)
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270n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293631
PNG
(4-bromo-N-(3-bromo-4-(2-(2-methylpyrrolidin-1-yl)e...)
Show SMILES CC1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C20H24Br2N2O2S/c1-14-3-2-8-24(14)9-10-26-18-5-4-15(11-17(18)22)6-7-23-20(25)19-12-16(21)13-27-19/h4-5,11-14H,2-3,6-10H2,1H3,(H,23,25)
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310n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293631
PNG
(4-bromo-N-(3-bromo-4-(2-(2-methylpyrrolidin-1-yl)e...)
Show SMILES CC1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C20H24Br2N2O2S/c1-14-3-2-8-24(14)9-10-26-18-5-4-15(11-17(18)22)6-7-23-20(25)19-12-16(21)13-27-19/h4-5,11-14H,2-3,6-10H2,1H3,(H,23,25)
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330n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293635
PNG
(CHEMBL571006 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2nnc[nH]2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C17H22BrN5O2/c18-14-11-13(5-6-19-17(24)16-20-12-21-22-16)3-4-15(14)25-10-9-23-7-1-2-8-23/h3-4,11-12H,1-2,5-10H2,(H,19,24)(H,20,21,22)
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430n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293640
PNG
(CHEMBL563558 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C22H24BrF3N2O2/c23-19-14-16(6-7-20(19)30-13-12-28-10-1-2-11-28)8-9-27-21(29)17-4-3-5-18(15-17)22(24,25)26/h3-7,14-15H,1-2,8-13H2,(H,27,29)
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440n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293622
PNG
(CHEMBL559766 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C17H20Br2N2O2S/c1-21(2)7-8-23-15-4-3-12(9-14(15)19)5-6-20-17(22)16-10-13(18)11-24-16/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)
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670n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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1.04E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293632
PNG
(4-bromo-N-(3-bromo-4-(2-(3-fluoropyrrolidin-1-yl)e...)
Show SMILES FC1CCN(CCOc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1
Show InChI InChI=1S/C19H21Br2FN2O2S/c20-14-10-18(27-12-14)19(25)23-5-3-13-1-2-17(16(21)9-13)26-8-7-24-6-4-15(22)11-24/h1-2,9-10,12,15H,3-8,11H2,(H,23,25)
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1.10E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293632
PNG
(4-bromo-N-(3-bromo-4-(2-(3-fluoropyrrolidin-1-yl)e...)
Show SMILES FC1CCN(CCOc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1
Show InChI InChI=1S/C19H21Br2FN2O2S/c20-14-10-18(27-12-14)19(25)23-5-3-13-1-2-17(16(21)9-13)26-8-7-24-6-4-15(22)11-24/h1-2,9-10,12,15H,3-8,11H2,(H,23,25)
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1.15E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293625
PNG
(CHEMBL559963 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1
Show InChI InChI=1S/C20H24Br2N2O2S/c1-24-8-2-3-15(11-24)12-26-18-5-4-14(9-17(18)22)6-7-23-20(25)19-10-16(21)13-27-19/h4-5,9-10,13,15H,2-3,6-8,11-12H2,1H3,(H,23,25)
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1.25E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293610
PNG
(CHEMBL554516 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1
Show InChI InChI=1S/C20H25Br2N3O2/c1-25-8-2-3-15(12-25)13-27-19-5-4-14(9-17(19)22)6-7-23-20(26)18-10-16(21)11-24-18/h4-5,9-11,15,24H,2-3,6-8,12-13H2,1H3,(H,23,26)
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1.33E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293611
PNG
(CHEMBL561234 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br
Show InChI InChI=1S/C18H24BrN3O2/c1-22(2)11-4-12-24-17-7-6-14(13-15(17)19)8-10-21-18(23)16-5-3-9-20-16/h3,5-7,9,13,20H,4,8,10-12H2,1-2H3,(H,21,23)
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1.36E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293615
PNG
(CHEMBL564035 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3ccc[nH]3)cc2Br)C1
Show InChI InChI=1S/C20H26BrN3O2/c1-24-11-3-4-16(13-24)14-26-19-7-6-15(12-17(19)21)8-10-23-20(25)18-5-2-9-22-18/h2,5-7,9,12,16,22H,3-4,8,10-11,13-14H2,1H3,(H,23,25)
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1.52E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293612
PNG
(CHEMBL561433 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br
Show InChI InChI=1S/C17H22BrN3O2/c1-21(2)10-11-23-16-6-5-13(12-14(16)18)7-9-20-17(22)15-4-3-8-19-15/h3-6,8,12,19H,7,9-11H2,1-2H3,(H,20,22)
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1.55E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293607
PNG
(CHEMBL570774 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C17H21Br2N3O2/c1-22(2)7-8-24-16-4-3-12(9-14(16)19)5-6-20-17(23)15-10-13(18)11-21-15/h3-4,9-11,21H,5-8H2,1-2H3,(H,20,23)
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1.61E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293621
PNG
(CHEMBL551840 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C18H22Br2N2O2S/c1-22(2)8-3-9-24-16-5-4-13(10-15(16)20)6-7-21-18(23)17-11-14(19)12-25-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,23)
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1.61E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293620
PNG
(CHEMBL562235 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3cccn3C)cc2Br)C1
Show InChI InChI=1S/C21H28BrN3O2/c1-24-11-3-5-17(14-24)15-27-20-8-7-16(13-18(20)22)9-10-23-21(26)19-6-4-12-25(19)2/h4,6-8,12-13,17H,3,5,9-11,14-15H2,1-2H3,(H,23,26)
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1.65E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293616
PNG
(CHEMBL561837 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cccn2C)cc1Br
Show InChI InChI=1S/C19H26BrN3O2/c1-22(2)11-5-13-25-18-8-7-15(14-16(18)20)9-10-21-19(24)17-6-4-12-23(17)3/h4,6-8,12,14H,5,9-11,13H2,1-3H3,(H,21,24)
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1.76E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293630
PNG
(CHEMBL559842 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1
Show InChI InChI=1S/C20H24Br2N2O3/c1-24-10-2-3-15(12-24)13-26-17-5-4-14(11-16(17)21)8-9-23-20(25)18-6-7-19(22)27-18/h4-7,11,15H,2-3,8-10,12-13H2,1H3,(H,23,25)
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2.11E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293617
PNG
(CHEMBL550141 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2cccn2C)cc1Br
Show InChI InChI=1S/C18H24BrN3O2/c1-21(2)11-12-24-17-7-6-14(13-15(17)19)8-9-20-18(23)16-5-4-10-22(16)3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,23)
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2.13E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293626
PNG
(CHEMBL554108 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br
Show InChI InChI=1S/C18H22Br2N2O3/c1-22(2)10-3-11-24-15-5-4-13(12-14(15)19)8-9-21-18(23)16-6-7-17(20)25-16/h4-7,12H,3,8-11H2,1-2H3,(H,21,23)
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2.29E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293627
PNG
(CHEMBL562297 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br
Show InChI InChI=1S/C17H20Br2N2O3/c1-21(2)9-10-23-14-4-3-12(11-13(14)18)7-8-20-17(22)15-5-6-16(19)24-15/h3-6,11H,7-10H2,1-2H3,(H,20,22)
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2.72E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293609
PNG
(CHEMBL549332 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1c[nH]c(c1)C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C19H23Br2N3O3/c20-15-12-17(23-13-15)19(25)22-4-3-14-1-2-18(16(21)11-14)27-10-7-24-5-8-26-9-6-24/h1-2,11-13,23H,3-10H2,(H,22,25)
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1.29E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293624
PNG
(CHEMBL549544 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1csc(c1)C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O3S/c20-15-12-18(27-13-15)19(24)22-4-3-14-1-2-17(16(21)11-14)26-10-7-23-5-8-25-9-6-23/h1-2,11-13H,3-10H2,(H,22,24)
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1.35E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293619
PNG
(CHEMBL561029 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Cn1cccc1C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C20H26BrN3O3/c1-23-8-2-3-18(23)20(25)22-7-6-16-4-5-19(17(21)15-16)27-14-11-24-9-12-26-13-10-24/h2-5,8,15H,6-7,9-14H2,1H3,(H,22,25)
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1.76E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293614
PNG
(CHEMBL563666 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1cc(CCNC(=O)c2ccc[nH]2)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C19H24BrN3O3/c20-16-14-15(5-7-22-19(24)17-2-1-6-21-17)3-4-18(16)26-13-10-23-8-11-25-12-9-23/h1-4,6,14,21H,5,7-13H2,(H,22,24)
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2.64E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293629
PNG
(CHEMBL559448 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1ccc(o1)C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O4/c20-15-13-14(5-6-22-19(24)17-3-4-18(21)27-17)1-2-16(15)26-12-9-23-7-10-25-11-8-23/h1-4,13H,5-12H2,(H,22,24)
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3.25E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293636
PNG
(CHEMBL561293 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2nccs2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C18H22BrN3O2S/c19-15-13-14(5-6-20-17(23)18-21-7-12-25-18)3-4-16(15)24-11-10-22-8-1-2-9-22/h3-4,7,12-13H,1-2,5-6,8-11H2,(H,20,23)
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n/an/a 70n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293634
PNG
(CHEMBL569374 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2cnco2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C18H22BrN3O3/c19-15-11-14(5-6-21-18(23)17-12-20-13-25-17)3-4-16(15)24-10-9-22-7-1-2-8-22/h3-4,11-13H,1-2,5-10H2,(H,21,23)
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n/an/a 80n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293623
PNG
(CHEMBL551841 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1csc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O2S/c20-15-12-18(26-13-15)19(24)22-6-5-14-3-4-17(16(21)11-14)25-10-9-23-7-1-2-8-23/h3-4,11-13H,1-2,5-10H2,(H,22,24)
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n/an/a 180n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293637
PNG
(CHEMBL551488 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2cncs2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C18H22BrN3O2S/c19-15-11-14(5-6-21-18(23)17-12-20-13-25-17)3-4-16(15)24-10-9-22-7-1-2-8-22/h3-4,11-13H,1-2,5-10H2,(H,21,23)
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n/an/a 260n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293618
PNG
(CHEMBL563684 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Cn1cccc1C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C20H26BrN3O2/c1-23-10-4-5-18(23)20(25)22-9-8-16-6-7-19(17(21)15-16)26-14-13-24-11-2-3-12-24/h4-7,10,15H,2-3,8-9,11-14H2,1H3,(H,22,25)
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n/an/a 310n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293613
PNG
(CHEMBL554742 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2ccc[nH]2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C19H24BrN3O2/c20-16-14-15(7-9-22-19(24)17-4-3-8-21-17)5-6-18(16)25-13-12-23-10-1-2-11-23/h3-6,8,14,21H,1-2,7,9-13H2,(H,22,24)
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n/an/a 380n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293628
PNG
(CHEMBL561228 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1ccc(o1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O3/c20-15-13-14(7-8-22-19(24)17-5-6-18(21)26-17)3-4-16(15)25-12-11-23-9-1-2-10-23/h3-6,13H,1-2,7-12H2,(H,22,24)
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n/an/a 390n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293608
PNG
(CHEMBL561355 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1c[nH]c(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C19H23Br2N3O2/c20-15-12-17(23-13-15)19(25)22-6-5-14-3-4-18(16(21)11-14)26-10-9-24-7-1-2-8-24/h3-4,11-13,23H,1-2,5-10H2,(H,22,25)
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n/an/a 430n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293639
PNG
(CHEMBL551693 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cccc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H24Br2N2O2/c22-18-5-3-4-17(15-18)21(26)24-9-8-16-6-7-20(19(23)14-16)27-13-12-25-10-1-2-11-25/h3-7,14-15H,1-2,8-13H2,(H,24,26)
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n/an/a 450n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293638
PNG
(CHEMBL560629 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1cccc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H24BrClN2O2/c22-19-14-16(6-7-20(19)27-13-12-25-10-1-2-11-25)8-9-24-21(26)17-4-3-5-18(23)15-17/h3-7,14-15H,1-2,8-13H2,(H,24,26)
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n/an/a 550n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293633
PNG
(CHEMBL560230 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES FC(F)(F)c1cccc(n1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H23BrF3N3O2/c22-16-14-15(6-7-18(16)30-13-12-28-10-1-2-11-28)8-9-26-20(29)17-4-3-5-19(27-17)21(23,24)25/h3-7,14H,1-2,8-13H2,(H,26,29)
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n/an/a 560n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293631
PNG
(4-bromo-N-(3-bromo-4-(2-(2-methylpyrrolidin-1-yl)e...)
Show SMILES CC1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C20H24Br2N2O2S/c1-14-3-2-8-24(14)9-10-26-18-5-4-15(11-17(18)22)6-7-23-20(25)19-12-16(21)13-27-19/h4-5,11-14H,2-3,6-10H2,1H3,(H,23,25)
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n/an/a 710n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293631
PNG
(4-bromo-N-(3-bromo-4-(2-(2-methylpyrrolidin-1-yl)e...)
Show SMILES CC1CCCN1CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C20H24Br2N2O2S/c1-14-3-2-8-24(14)9-10-26-18-5-4-15(11-17(18)22)6-7-23-20(25)19-12-16(21)13-27-19/h4-5,11-14H,2-3,6-10H2,1H3,(H,23,25)
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n/an/a 750n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293635
PNG
(CHEMBL571006 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Brc1cc(CCNC(=O)c2nnc[nH]2)ccc1OCCN1CCCC1
Show InChI InChI=1S/C17H22BrN5O2/c18-14-11-13(5-6-19-17(24)16-20-12-21-22-16)3-4-15(14)25-10-9-23-7-1-2-8-23/h3-4,11-12H,1-2,5-10H2,(H,19,24)(H,20,21,22)
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n/an/a 970n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293640
PNG
(CHEMBL563558 | N-(3-bromo-4-(2-(pyrrolidin-1-yl)et...)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)NCCc1ccc(OCCN2CCCC2)c(Br)c1
Show InChI InChI=1S/C22H24BrF3N2O2/c23-19-14-16(6-7-20(19)30-13-12-28-10-1-2-11-28)8-9-27-21(29)17-4-3-5-18(15-17)22(24,25)26/h3-7,14-15H,1-2,8-13H2,(H,27,29)
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n/an/a 980n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293622
PNG
(CHEMBL559766 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C17H20Br2N2O2S/c1-21(2)7-8-23-15-4-3-12(9-14(15)19)5-6-20-17(22)16-10-13(18)11-24-16/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293632
PNG
(4-bromo-N-(3-bromo-4-(2-(3-fluoropyrrolidin-1-yl)e...)
Show SMILES FC1CCN(CCOc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1
Show InChI InChI=1S/C19H21Br2FN2O2S/c20-14-10-18(27-12-14)19(25)23-5-3-13-1-2-17(16(21)9-13)26-8-7-24-6-4-15(22)11-24/h1-2,9-10,12,15H,3-8,11H2,(H,23,25)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293632
PNG
(4-bromo-N-(3-bromo-4-(2-(3-fluoropyrrolidin-1-yl)e...)
Show SMILES FC1CCN(CCOc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1
Show InChI InChI=1S/C19H21Br2FN2O2S/c20-14-10-18(27-12-14)19(25)23-5-3-13-1-2-17(16(21)9-13)26-8-7-24-6-4-15(22)11-24/h1-2,9-10,12,15H,3-8,11H2,(H,23,25)
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n/an/a 2.11E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293611
PNG
(CHEMBL561234 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br
Show InChI InChI=1S/C18H24BrN3O2/c1-22(2)11-4-12-24-17-7-6-14(13-15(17)19)8-10-21-18(23)16-5-3-9-20-16/h3,5-7,9,13,20H,4,8,10-12H2,1-2H3,(H,21,23)
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n/an/a 2.92E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293610
PNG
(CHEMBL554516 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3cc(Br)c[nH]3)cc2Br)C1
Show InChI InChI=1S/C20H25Br2N3O2/c1-25-8-2-3-15(12-25)13-27-19-5-4-14(9-17(19)22)6-7-23-20(26)18-10-16(21)11-24-18/h4-5,9-11,15,24H,2-3,6-8,12-13H2,1H3,(H,23,26)
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n/an/a 2.94E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293612
PNG
(CHEMBL561433 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1Br
Show InChI InChI=1S/C17H22BrN3O2/c1-21(2)10-11-23-16-6-5-13(12-14(16)18)7-9-20-17(22)15-4-3-8-19-15/h3-6,8,12,19H,7,9-11H2,1-2H3,(H,20,22)
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n/an/a 3.43E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293621
PNG
(CHEMBL551840 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)cs2)cc1Br
Show InChI InChI=1S/C18H22Br2N2O2S/c1-22(2)8-3-9-24-16-5-4-13(10-15(16)20)6-7-21-18(23)17-11-14(19)12-25-17/h4-5,10-12H,3,6-9H2,1-2H3,(H,21,23)
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n/an/a 3.61E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293620
PNG
(CHEMBL562235 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3cccn3C)cc2Br)C1
Show InChI InChI=1S/C21H28BrN3O2/c1-24-11-3-5-17(14-24)15-27-20-8-7-16(13-18(20)22)9-10-23-21(26)19-6-4-12-25(19)2/h4,6-8,12-13,17H,3,5,9-11,14-15H2,1-2H3,(H,23,26)
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n/an/a 3.62E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293615
PNG
(CHEMBL564035 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3ccc[nH]3)cc2Br)C1
Show InChI InChI=1S/C20H26BrN3O2/c1-24-11-3-4-16(13-24)14-26-19-7-6-15(12-17(19)21)8-10-23-20(25)18-5-2-9-22-18/h2,5-7,9,12,16,22H,3-4,8,10-11,13-14H2,1H3,(H,23,25)
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n/an/a 3.63E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293607
PNG
(CHEMBL570774 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C17H21Br2N3O2/c1-22(2)7-8-24-16-4-3-12(9-14(16)19)5-6-20-17(23)15-10-13(18)11-21-15/h3-4,9-11,21H,5-8H2,1-2H3,(H,20,23)
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n/an/a 3.72E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293625
PNG
(CHEMBL559963 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3cc(Br)cs3)cc2Br)C1
Show InChI InChI=1S/C20H24Br2N2O2S/c1-24-8-2-3-15(11-24)12-26-18-5-4-14(9-17(18)22)6-7-23-20(25)19-10-16(21)13-27-19/h4-5,9-10,13,15H,2-3,6-8,11-12H2,1H3,(H,23,25)
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n/an/a 3.73E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293616
PNG
(CHEMBL561837 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cccn2C)cc1Br
Show InChI InChI=1S/C19H26BrN3O2/c1-22(2)11-5-13-25-18-8-7-15(14-16(18)20)9-10-21-19(24)17-6-4-12-23(17)3/h4,6-8,12,14H,5,9-11,13H2,1-3H3,(H,21,24)
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n/an/a 3.99E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293617
PNG
(CHEMBL550141 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2cccn2C)cc1Br
Show InChI InChI=1S/C18H24BrN3O2/c1-21(2)11-12-24-17-7-6-14(13-15(17)19)8-9-20-18(23)16-5-4-10-22(16)3/h4-7,10,13H,8-9,11-12H2,1-3H3,(H,20,23)
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n/an/a 4.54E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293630
PNG
(CHEMBL559842 | N-(3-bromo-4-((1-methylpiperidin-3-...)
Show SMILES CN1CCCC(COc2ccc(CCNC(=O)c3ccc(Br)o3)cc2Br)C1
Show InChI InChI=1S/C20H24Br2N2O3/c1-24-10-2-3-15(12-24)13-26-17-5-4-14(11-16(17)21)8-9-23-20(25)18-6-7-19(22)27-18/h4-7,11,15H,2-3,8-10,12-13H2,1H3,(H,23,25)
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n/an/a 4.56E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293626
PNG
(CHEMBL554108 | N-(3-bromo-4-(3-(dimethylamino)prop...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br
Show InChI InChI=1S/C18H22Br2N2O3/c1-22(2)10-3-11-24-15-5-4-13(12-14(15)19)8-9-21-18(23)16-6-7-17(20)25-16/h4-7,12H,3,8-11H2,1-2H3,(H,21,23)
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n/an/a 4.81E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293627
PNG
(CHEMBL562297 | N-(3-bromo-4-(2-(dimethylamino)etho...)
Show SMILES CN(C)CCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1Br
Show InChI InChI=1S/C17H20Br2N2O3/c1-21(2)9-10-23-14-4-3-12(11-13(14)18)7-8-20-17(22)15-5-6-16(19)24-15/h3-6,11H,7-10H2,1-2H3,(H,20,22)
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n/an/a 5.93E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293609
PNG
(CHEMBL549332 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1c[nH]c(c1)C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C19H23Br2N3O3/c20-15-12-17(23-13-15)19(25)22-4-3-14-1-2-18(16(21)11-14)27-10-7-24-5-8-26-9-6-24/h1-2,11-13,23H,3-10H2,(H,22,25)
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n/an/a 2.91E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293624
PNG
(CHEMBL549544 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1csc(c1)C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O3S/c20-15-12-18(27-13-15)19(24)22-4-3-14-1-2-17(16(21)11-14)26-10-7-23-5-8-25-9-6-23/h1-2,11-13H,3-10H2,(H,22,24)
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n/an/a 3.04E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293619
PNG
(CHEMBL561029 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Cn1cccc1C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C20H26BrN3O3/c1-23-8-2-3-18(23)20(25)22-7-6-16-4-5-19(17(21)15-16)27-14-11-24-9-12-26-13-10-24/h2-5,8,15H,6-7,9-14H2,1H3,(H,22,25)
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n/an/a 3.96E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293614
PNG
(CHEMBL563666 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1cc(CCNC(=O)c2ccc[nH]2)ccc1OCCN1CCOCC1
Show InChI InChI=1S/C19H24BrN3O3/c20-16-14-15(5-7-22-19(24)17-2-1-6-21-17)3-4-18(16)26-13-10-23-8-11-25-12-9-23/h1-4,6,14,21H,5,7-13H2,(H,22,24)
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n/an/a 5.92E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50293629
PNG
(CHEMBL559448 | N-(3-bromo-4-(2-morpholinoethoxy)ph...)
Show SMILES Brc1ccc(o1)C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1
Show InChI InChI=1S/C19H22Br2N2O4/c20-15-13-14(5-6-22-19(24)17-3-4-18(21)27-17)1-2-16(15)26-12-9-23-7-10-25-11-8-23/h1-4,13H,5-12H2,(H,22,24)
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n/an/a 7.32E+4n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 3204-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.106
BindingDB Entry DOI: 10.7270/Q2NS0TXG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%