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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'dvorak' and Initial = 'lk'   
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))
BDBM50346209
PNG
(5-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1cnc(Oc2ccc3CCN(CCc3c2)C2CCC2)cn1
Show InChI InChI=1S/C20H24N4O2/c1-21-20(25)18-12-23-19(13-22-18)26-17-6-5-14-7-9-24(16-3-2-4-16)10-8-15(14)11-17/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,21,25)
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0.210n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50200636
PNG
(1-(4-(4-(piperidin-1-ylmethyl)phenyl)but-3-ynyl)pi...)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C21H30N2/c1-4-14-22(15-5-1)16-8-3-9-20-10-12-21(13-11-20)19-23-17-6-2-7-18-23/h10-13H,1-2,4-8,14-19H2
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0.513n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414797
PNG
(CHEMBL582977)
Show SMILES NC(=O)C1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C22H31N3O/c23-22(26)21-10-15-25(16-11-21)18-20-9-6-8-19(17-20)7-2-5-14-24-12-3-1-4-13-24/h6,8-9,17,21H,1,3-5,10-16,18H2,(H2,23,26)
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0.550n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


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



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414804
PNG
(CHEMBL574712)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H28N2/c1-3-13-21(14-4-1)15-5-2-8-19-9-11-20(12-10-19)18-22-16-6-7-17-22/h9-12H,1,3-7,13-18H2
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0.617n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414811
PNG
(CHEMBL574721)
Show SMILES C(CN1CCCC1)C#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H28N2/c1-3-16-22(17-4-1)18-20-11-9-19(10-12-20)8-2-5-13-21-14-6-7-15-21/h9-12H,1,3-7,13-18H2
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0.676n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346205
PNG
(5-Piperidin-1-ylmethyl-2-(3-piperidin-1-yl-propoxy...)
Show SMILES C(COc1ccc(CN2CCCCC2)cn1)CN1CCCCC1
Show InChI InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(16-20-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2
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0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414798
PNG
(CHEMBL575172)
Show SMILES CN1CCN(Cc2cccc(c2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C21H31N3/c1-22-14-16-24(17-15-22)19-21-10-7-9-20(18-21)8-3-6-13-23-11-4-2-5-12-23/h7,9-10,18H,2,4-6,11-17,19H2,1H3
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0.724n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414800
PNG
(CHEMBL583182)
Show SMILES NC(=O)C1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C22H31N3O/c23-22(26)21-11-16-25(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-24-13-3-1-4-14-24/h7-10,21H,1,3-5,11-18H2,(H2,23,26)
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0.759n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414792
PNG
(CHEMBL573817)
Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C21H30N2/c1-4-13-22(14-5-1)15-8-3-10-20-11-9-12-21(18-20)19-23-16-6-2-7-17-23/h9,11-12,18H,1-2,4-8,13-17,19H2
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0.776n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414813
PNG
(CHEMBL573328)
Show SMILES CC(C)N1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C23H35N3/c1-21(2)26-18-16-25(17-19-26)20-23-11-9-22(10-12-23)8-4-7-15-24-13-5-3-6-14-24/h9-12,21H,3,5-7,13-20H2,1-2H3
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0.871n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414799
PNG
(CHEMBL573815)
Show SMILES OC1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C21H30N2O/c24-21-11-16-23(17-12-21)18-20-9-7-19(8-10-20)6-2-5-15-22-13-3-1-4-14-22/h7-10,21,24H,1,3-5,11-18H2
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0.891n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346207
PNG
(2-Piperdin-1-ylmethyl-5-(3-piperdin-1-yl-propoxy)-...)
Show SMILES C(COc1ccc(CN2CCCCC2)nc1)CN1CCCCC1
Show InChI InChI=1S/C19H31N3O/c1-3-10-21(11-4-1)14-7-15-23-19-9-8-18(20-16-19)17-22-12-5-2-6-13-22/h8-9,16H,1-7,10-15,17H2
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414806
PNG
(CHEMBL572845)
Show SMILES CN(C)Cc1ccc(cc1)C#CCCN1CCCCC1
Show InChI InChI=1S/C18H26N2/c1-19(2)16-18-11-9-17(10-12-18)8-4-7-15-20-13-5-3-6-14-20/h9-12H,3,5-7,13-16H2,1-2H3
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0.912n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414803
PNG
(CHEMBL573321)
Show SMILES CN1CCN(Cc2ccc(cc2)C#CCCN2CCCCC2)CC1
Show InChI InChI=1S/C21H31N3/c1-22-15-17-24(18-16-22)19-21-10-8-20(9-11-21)7-3-6-14-23-12-4-2-5-13-23/h8-11H,2,4-6,12-19H2,1H3
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0.977n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255823
PNG
((2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3)n2C)CC1
Show InChI InChI=1S/C20H27N3O2/c1-15(2)23-11-9-16(10-12-23)14-25-20-21-13-18(22(20)3)19(24)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217569
PNG
(4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...)
Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255824
PNG
((2-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)met...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccccc3Cl)n2C)CC1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-6-4-5-7-17(16)21/h4-7,12,14-15H,8-11,13H2,1-3H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414805
PNG
(CHEMBL574711)
Show SMILES CCN(CC)Cc1ccc(cc1)C#CCCN1CCCCC1
Show InChI InChI=1S/C20H30N2/c1-3-21(4-2)18-20-13-11-19(12-14-20)10-6-9-17-22-15-7-5-8-16-22/h11-14H,3-5,7-9,15-18H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346199
PNG
((4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1cnc(CN2CCCCC2)cn1
Show InChI InChI=1S/C18H29N5O/c1-15(2)22-8-10-23(11-9-22)18(24)17-13-19-16(12-20-17)14-21-6-4-3-5-7-21/h12-13,15H,3-11,14H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346201
PNG
((4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)nc1
Show InChI InChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)17-6-7-18(20-14-17)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217569
PNG
(4-(3-(4-(piperidin-1-yl)but-1-ynyl)benzyl)morpholi...)
Show SMILES C(CN1CCCCC1)C#Cc1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2
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1.17n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50146835
PNG
(1-(4-Chloro-phenyl)-4-(4-cyclopentyl-piperazin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)CCC(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C19H25ClN2O2/c20-16-7-5-15(6-8-16)18(23)9-10-19(24)22-13-11-21(12-14-22)17-3-1-2-4-17/h5-8,17H,1-4,9-14H2
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1.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414812
PNG
(CHEMBL574720)
Show SMILES CCN(CC)CCC#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H30N2/c1-3-21(4-2)15-9-6-10-19-11-13-20(14-12-19)18-22-16-7-5-8-17-22/h11-14H,3-5,7-9,15-18H2,1-2H3
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1.35n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346196
PNG
((4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cn1
Show InChI InChI=1S/C19H30N4O/c1-16(2)22-10-12-23(13-11-22)19(24)18-7-6-17(14-20-18)15-21-8-4-3-5-9-21/h6-7,14,16H,3-5,8-13,15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414793
PNG
(CHEMBL573090)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C20H28N2O/c1-3-11-21(12-4-1)13-5-2-6-19-7-9-20(10-8-19)18-22-14-16-23-17-15-22/h7-10H,1,3-5,11-18H2
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1.74n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414802
PNG
(CHEMBL584182)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H35N3/c1-3-10-26(11-4-1)23-29-19-21-30(22-20-29)24-27-14-12-25(13-15-27)9-5-8-18-28-16-6-2-7-17-28/h1,3-4,10-15H,2,6-8,16-24H2
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1.91n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255928
PNG
((4-chlorophenyl)(2-(1-isopropylpiperidin-4-ylthio)...)
Show SMILES CC(C)N1CCC(CC1)Sc1ncc(C(=O)c2ccc(Cl)cc2)n1C
Show InChI InChI=1S/C19H24ClN3OS/c1-13(2)23-10-8-16(9-11-23)25-19-21-12-17(22(19)3)18(24)14-4-6-15(20)7-5-14/h4-7,12-13,16H,8-11H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255933
PNG
((4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1...)
Show SMILES CN(C)CCCSc1ncc(C(N=O)c2ccc(Cl)cc2)n1C
Show InChI InChI=1S/C16H21ClN4OS/c1-20(2)9-4-10-23-16-18-11-14(21(16)3)15(19-22)12-5-7-13(17)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50240620
PNG
(1-(4-chlorobenzyl)-1-(7-(pyrrolidin-1-yl)heptyl)gu...)
Show SMILES NC(=N)N(CCCCCCCN1CCCC1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H31ClN4/c20-18-10-8-17(9-11-18)16-24(19(21)22)15-5-3-1-2-4-12-23-13-6-7-14-23/h8-11H,1-7,12-16H2,(H3,21,22)
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217581
PNG
(4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50247053
PNG
(1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...)
Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1
Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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2.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255760
PNG
((4-fluorophenyl)(2-((1-isopropylpiperidin-4-yl)met...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccc(F)cc3)n2C)CC1
Show InChI InChI=1S/C20H26FN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-4-6-17(21)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255872
PNG
((4-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)met...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-4-6-17(21)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255763
PNG
((4-bromophenyl)(2-((1-isopropylpiperidin-4-yl)meth...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccc(Br)cc3)n2C)CC1
Show InChI InChI=1S/C20H26BrN3O2/c1-14(2)24-10-8-15(9-11-24)13-26-20-22-12-18(23(20)3)19(25)16-4-6-17(21)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346189
PNG
((4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1csc(CN2CCCCC2)c1
Show InChI InChI=1S/C18H29N3OS/c1-15(2)20-8-10-21(11-9-20)18(22)16-12-17(23-14-16)13-19-6-4-3-5-7-19/h12,14-15H,3-11,13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346187
PNG
((4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmeth...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)o1
Show InChI InChI=1S/C18H29N3O2/c1-15(2)20-10-12-21(13-11-20)18(22)17-7-6-16(23-17)14-19-8-4-3-5-9-19/h6-7,15H,3-5,8-14H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414801
PNG
(CHEMBL574719)
Show SMILES C(CN1CCCCC1)C#Cc1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C28H36N2/c1-3-10-26(11-4-1)23-27-16-21-30(22-17-27)24-28-14-12-25(13-15-28)9-5-8-20-29-18-6-2-7-19-29/h1,3-4,10-15,27H,2,6-8,16-24H2
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3.47n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414810
PNG
(CHEMBL573564)
Show SMILES C(CN1CCSCC1)C#Cc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H28N2S/c1-3-12-22(13-4-1)18-20-9-7-19(8-10-20)6-2-5-11-21-14-16-23-17-15-21/h7-10H,1,3-5,11-18H2
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3.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4098-106 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.049
BindingDB Entry DOI: 10.7270/Q2VH5Q3G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255759
PNG
((2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccc(cc3)[N+]([O-])=O)n2C)CC1
Show InChI InChI=1S/C20H26N4O4/c1-14(2)23-10-8-15(9-11-23)13-28-20-21-12-18(22(20)3)19(25)16-4-6-17(7-5-16)24(26)27/h4-7,12,14-15H,8-11,13H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255705
PNG
((2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3ccc(cc3)C(F)(F)F)n2C)CC1
Show InChI InChI=1S/C21H26F3N3O2/c1-14(2)27-10-8-15(9-11-27)13-29-20-25-12-18(26(20)3)19(28)16-4-6-17(7-5-16)21(22,23)24/h4-7,12,14-15H,8-11,13H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255762
PNG
((3,5-dichlorophenyl)(2-((1-isopropylpiperidin-4-yl...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3cc(Cl)cc(Cl)c3)n2C)CC1
Show InChI InChI=1S/C20H25Cl2N3O2/c1-13(2)25-6-4-14(5-7-25)12-27-20-23-11-18(24(20)3)19(26)15-8-16(21)10-17(22)9-15/h8-11,13-14H,4-7,12H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50022758
PNG
(CHEMBL1204266 | CHEMBL308142 | Dibutyl-{3-[4-(8-me...)
Show SMILES CCCCN(CCCC)CCCOc1ccc(cc1)-c1cn2cccc(C)c2n1
Show InChI InChI=1S/C25H35N3O/c1-4-6-15-27(16-7-5-2)17-9-19-29-23-13-11-22(12-14-23)24-20-28-18-8-10-21(3)25(28)26-24/h8,10-14,18,20H,4-7,9,15-17,19H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346204
PNG
(3-(3-(piperidin-1-yl)propoxy)-5-(piperidin-1-ylmet...)
Show SMILES C(COc1cc(CN2CCCCC2)on1)CN1CCCCC1
Show InChI InChI=1S/C17H29N3O2/c1-3-8-19(9-4-1)12-7-13-21-17-14-16(22-18-17)15-20-10-5-2-6-11-20/h14H,1-13,15H2
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50346182
PNG
((4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethyla...)
Show SMILES COCCNCc1ccc(s1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C16H27N3O2S/c1-13(2)18-7-9-19(10-8-18)16(20)15-5-4-14(22-15)12-17-6-11-21-3/h4-5,13,17H,6-12H2,1-3H3
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4.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50255761
PNG
((3-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)met...)
Show SMILES CC(C)N1CCC(COc2ncc(C(=O)c3cccc(Cl)c3)n2C)CC1
Show InChI InChI=1S/C20H26ClN3O2/c1-14(2)24-9-7-15(8-10-24)13-26-20-22-12-18(23(20)3)19(25)16-5-4-6-17(21)11-16/h4-6,11-12,14-15H,7-10,13H2,1-3H3
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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 19: 903-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.114
BindingDB Entry DOI: 10.7270/Q2X63MTD
More data for this
Ligand-Target Pair
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