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Compile Data Set for Download or QSAR

Found 1937 hits with Last Name = 'schwartz' and Initial = 'jc'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50246381
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3,8-di...)
Show SMILES Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
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0.0313n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
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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0.0600n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Nature 347: 146-51 (1990)


Article DOI: 10.1038/347146a0
BindingDB Entry DOI: 10.7270/Q2CC0Z5N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246382
PNG
(8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)pheny...)
Show SMILES Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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0.0625n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278495
PNG
(4-chloro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES ClC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31ClN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.0680n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246290
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
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0.0688n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246434
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...)
Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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0.0781n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110291
PNG
((7-Chloro-quinolin-4-yl)-[4-(3-piperidin-1-yl-prop...)
Show SMILES Clc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
Show InChI InChI=1S/C23H26ClN3O/c24-18-5-10-21-22(11-12-25-23(21)17-18)26-19-6-8-20(9-7-19)28-16-4-15-27-13-2-1-3-14-27/h5-12,17H,1-4,13-16H2,(H,25,26)
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0.0860n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50110288
PNG
(CHEMBL15153 | N-(4-(3-(piperidin-1-yl)propoxy)phen...)
Show SMILES C(COc1ccc(Nc2ccnc3ccccc23)cc1)CN1CCCCC1
Show InChI InChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
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0.0910n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Affinity for displacement of [125I]-iodoproxyfan from human histamine H3 receptors stably expressed in CHO cells


J Med Chem 45: 1128-41 (2002)


BindingDB Entry DOI: 10.7270/Q2H70F4V
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246334
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-7-meth...)
Show SMILES COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-16-21(30-2)10-11-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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0.0938n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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0.0938n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246333
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-meth...)
Show SMILES COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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0.0938n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278350
PNG
(4-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pi...)
Show SMILES FC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31FN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.0940n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246287
PNG
(3-benzyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31N3O2/c33-29-26-12-5-6-13-27(26)30-28(32(29)22-23-10-3-1-4-11-23)24-14-16-25(17-15-24)34-21-9-20-31-18-7-2-8-19-31/h1,3-6,10-17H,2,7-9,18-22H2
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0.0969n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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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0.100n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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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0.100n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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0.100n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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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0.100n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50098203
PNG
(1-{4-[2-(1H-Imidazol-4-yl)-ethylsulfanyl]-phenyl}-...)
Show SMILES CC(=O)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H14N2OS/c1-10(16)11-2-4-13(5-3-11)17-7-6-12-8-14-9-15-12/h2-5,8-9H,6-7H2,1H3,(H,14,15)
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0.110n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 11: 951-4 (2001)


BindingDB Entry DOI: 10.7270/Q28P5ZRB
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074629
PNG
(4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]-histamine from synaptosomes of rat ce...


Bioorg Med Chem Lett 10: 2379-82 (2001)


BindingDB Entry DOI: 10.7270/Q28G8JZ4
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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0.150n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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0.156n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246332
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-5-meth...)
Show SMILES COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-21-7-4-8-22(30-2)23(21)25(27)29)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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0.156n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246380
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-21(25(27)29)7-4-8-22(23)30-2)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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0.156n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352357
PNG
(CHEMBL558655)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C25H29N3O2S/c1-20-3-2-17-28(20)18-14-21-4-6-23(7-5-21)24-8-10-25(11-9-24)31(29,30)27-19-22-12-15-26-16-13-22/h4-13,15-16,20,27H,2-3,14,17-19H2,1H3
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0.158n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50296178
PNG
((+/-)-(S)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1 |r|
Show InChI InChI=1S/C25H33NO5S/c1-18-7-5-14-26(17-18)15-6-16-30-21-12-10-20(11-13-21)24-19(2)32(27,28)23-9-4-8-22(29-3)25(23)31-24/h4,8-13,18-19,24H,5-7,14-17H2,1-3H3/t18-,19?,24?/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50296179
PNG
((+/-)-1-Cyclobutyl-4-[4-(8-methoxy-3-methyl-4,4-di...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H31NO5S/c1-17-24(31-25-22(29-2)7-4-8-23(25)32(17,27)28)18-9-11-20(12-10-18)30-21-13-15-26(16-14-21)19-5-3-6-19/h4,7-12,17,19,21,24H,3,5-6,13-16H2,1-2H3
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0.161n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352086
PNG
(CHEMBL1824245)
Show SMILES C(COc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1Cc2ccccc2C1)CN1CCCCC1 |r,wU:12.16,wD:9.9,(21.26,-32.26,;22.8,-32.26,;23.57,-30.93,;25.11,-30.93,;25.87,-32.27,;27.41,-32.28,;28.19,-30.95,;27.42,-29.61,;25.88,-29.6,;29.73,-30.96,;30.49,-32.3,;32.02,-32.32,;32.81,-30.99,;32.05,-29.65,;30.5,-29.63,;34.35,-31,;35.24,-32.26,;36.71,-31.79,;38.03,-32.57,;39.37,-31.82,;39.38,-30.27,;38.06,-29.5,;36.72,-30.25,;35.26,-29.76,;20.49,-30.92,;18.95,-30.92,;18.18,-32.25,;16.64,-32.25,;15.87,-30.92,;16.64,-29.59,;18.18,-29.59,)|
Show InChI InChI=1S/C28H38N2O/c1-4-17-29(18-5-1)19-6-20-31-28-15-11-24(12-16-28)23-9-13-27(14-10-23)30-21-25-7-2-3-8-26(25)22-30/h2-3,7-8,11-12,15-16,23,27H,1,4-6,9-10,13-14,17-22H2/t23-,27-
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0.170n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50296176
PNG
((+/-)-(R)-1-{3-[4-(8-Methoxy-3-methyl-4,4-dioxo-3,...)
Show SMILES COc1cccc2c1OC(C(C)S2(=O)=O)c1ccc(OCCCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C24H31NO5S/c1-17-7-5-14-25(17)15-6-16-29-20-12-10-19(11-13-20)23-18(2)31(26,27)22-9-4-8-21(28-3)24(22)30-23/h4,8-13,17-18,23H,5-7,14-16H2,1-3H3/t17-,18?,23?/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22916
PNG
(5-{3-[(4-iodophenyl)methoxy]propyl}-1H-imidazole |...)
Show SMILES Ic1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.200n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 452-9 (1994)


BindingDB Entry DOI: 10.7270/Q23X8556
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50142788
PNG
(CHEMBL3759491)
Show SMILES Oc1cccc(c1)N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29N3O2/c29-24-9-5-8-23(19-24)28-16-14-27(15-17-28)13-4-3-12-26-25(30)22-11-10-20-6-1-2-7-21(20)18-22/h1-2,5-11,18-19,29H,3-4,12-17H2,(H,26,30)
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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes


Bioorg Med Chem Lett 26: 885-8 (2016)


BindingDB Entry DOI: 10.7270/Q270838N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50278449
PNG
(4-bromo-1-(4-(3-(piperidin-1-yl)propoxy)benzyl)pip...)
Show SMILES BrC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H31BrN2O/c21-19-9-14-23(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-22-11-2-1-3-12-22/h5-8,19H,1-4,9-17H2
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0.200n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
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 |r|
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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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
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 |r|
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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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM81798
PNG
(CAS_39860-99-6 | NSC_62867 | Pipotiazine)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCC(CCO)CC3)c2c1
Show InChI InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Arzneimittelforschung 42: 224-30 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4VK6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352081
PNG
(CHEMBL1824230)
Show SMILES CN(C)[C@H]1CC[C@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:6.9,3.2,(26.01,2.94,;25.25,4.28,;26.03,5.61,;23.71,4.3,;22.92,2.97,;21.39,2.98,;20.63,4.32,;21.4,5.65,;22.95,5.64,;19.09,4.34,;18.31,3.01,;16.77,3.02,;16.01,4.36,;14.47,4.36,;13.7,3.03,;12.16,3.03,;11.39,4.37,;9.85,4.37,;9.08,3.04,;7.54,3.04,;6.77,4.37,;7.54,5.7,;9.08,5.7,;16.78,5.69,;18.32,5.68,)|
Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21+
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0.200n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50352099
PNG
(CHEMBL1824231)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1 |r,wU:3.2,wD:6.9,(46.41,2.61,;45.65,3.95,;46.43,5.28,;44.11,3.96,;43.33,2.64,;41.79,2.65,;41.03,3.99,;41.8,5.32,;43.35,5.3,;39.49,4,;38.71,2.68,;37.18,2.68,;36.41,4.02,;34.87,4.03,;34.1,2.69,;32.56,2.7,;31.79,4.03,;30.25,4.03,;29.49,2.71,;27.95,2.71,;27.17,4.03,;27.95,5.37,;29.49,5.37,;37.18,5.35,;38.72,5.34,)|
Show InChI InChI=1S/C22H36N2O/c1-23(2)21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-18-6-17-24-15-4-3-5-16-24/h9-10,13-14,19,21H,3-8,11-12,15-18H2,1-2H3/t19-,21-
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0.210n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem Lett 21: 5384-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.102
BindingDB Entry DOI: 10.7270/Q2DV1K7H
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM81793
PNG
(CAS_316-81-4 | NSC_92178 | Thioproperazine)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
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0.210n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Nature 347: 146-51 (1990)


Article DOI: 10.1038/347146a0
BindingDB Entry DOI: 10.7270/Q2CC0Z5N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262794
PNG
(2-Phenyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
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0.219n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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0.219n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
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