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PubMed code 26731168

Compile data set for download or QSAR
Found 39 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 receptor (H3)


(Homo sapiens (human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.0300n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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0.100n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.800n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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0.900n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138117
PNG
(CHEMBL3753315)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(C1)C1CCC1
Show InChI InChI=1S/C25H37N3O2/c1-18(2)26-13-10-22(11-14-26)30-23-6-7-24-19(16-23)8-15-28(25(24)29)21-9-12-27(17-21)20-4-3-5-20/h6-7,16,18,20-22H,3-5,8-15,17H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138106
PNG
(CHEMBL3753814)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)26-14-10-20(11-15-26)25-24(28)19-6-8-22(9-7-19)29-23-12-16-27(17-13-23)21-4-3-5-21/h6-9,18,20-21,23H,3-5,10-17H2,1-2H3,(H,25,28)
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138118
PNG
(CHEMBL3754200)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C26H39N3O2/c1-19(2)27-15-11-23(12-16-27)31-24-6-7-25-20(18-24)8-17-29(26(25)30)22-9-13-28(14-10-22)21-4-3-5-21/h6-7,18-19,21-23H,3-5,8-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138104
PNG
(CHEMBL3754209)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1S/C23H35N3O2/c1-17(2)25-14-11-22(12-15-25)28-21-8-6-18(7-9-21)23(27)24-19-10-13-26(16-19)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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2.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138125
PNG
(BAVISANT | Bavisant | JNJ-31001074)
Show SMILES O=C(N1CCN(CC1)C1CC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
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5.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138113
PNG
(CHEMBL3753170)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(F)c1
Show InChI InChI=1S/C23H34FN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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5.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138112
PNG
(CHEMBL3753147)
Show SMILES Clc1cc(OC2CCN(CC2)C2CCC2)ccc1C(=O)NC1CCN(CC1)C1CCC1
Show InChI InChI=1S/C25H36ClN3O2/c26-24-17-22(31-21-11-15-29(16-12-21)20-5-2-6-20)7-8-23(24)25(30)27-18-9-13-28(14-10-18)19-3-1-4-19/h7-8,17-21H,1-6,9-16H2,(H,27,30)
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6.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138111
PNG
(CHEMBL3751915)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1Cl
Show InChI InChI=1S/C24H36ClN3O2/c1-17(2)27-12-8-18(9-13-27)26-24(29)22-7-6-21(16-23(22)25)30-20-10-14-28(15-11-20)19-4-3-5-19/h6-7,16-20H,3-5,8-15H2,1-2H3,(H,26,29)
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7n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138107
PNG
(CHEMBL3753304)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1F)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1S/C23H34FN3O2/c1-16(2)26-12-9-20(10-13-26)29-22-7-6-17(14-21(22)24)23(28)25-18-8-11-27(15-18)19-4-3-5-19/h6-7,14,16,18-20H,3-5,8-13,15H2,1-2H3,(H,25,28)
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7.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138105
PNG
(CHEMBL3752081)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C23H37N3O2/c1-17(2)25-13-9-20(10-14-25)24-23(27)19-5-7-21(8-6-19)28-22-11-15-26(16-12-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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8.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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8.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138114
PNG
(CHEMBL3753764)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(C)c1
Show InChI InChI=1S/C24H37N3O2/c1-17(2)26-13-10-21(11-14-26)29-22-7-8-23(18(3)15-22)24(28)25-19-9-12-27(16-19)20-5-4-6-20/h7-8,15,17,19-21H,4-6,9-14,16H2,1-3H3,(H,25,28)
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9.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50444496
PNG
(CHEMBL3092650)
Show SMILES O=C1CCCN1c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
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10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138109
PNG
(CHEMBL3752705)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1F
Show InChI InChI=1S/C23H36FN3O2/c1-16(2)26-11-7-18(8-12-26)25-23(28)21-6-5-20(15-22(21)24)29-19-9-13-27(14-10-19)17(3)4/h5-6,15-19H,7-14H2,1-4H3,(H,25,28)
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11n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138108
PNG
(CHEMBL3753102)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(CC2)C2CCC2)c(F)c1
Show InChI InChI=1S/C24H36FN3O2/c1-17(2)27-14-10-20(11-15-27)30-21-6-7-22(23(25)16-21)24(29)26-18-8-12-28(13-9-18)19-4-3-5-19/h6-7,16-20H,3-5,8-15H2,1-2H3,(H,26,29)
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11n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138110
PNG
(CHEMBL3752796)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(C(=O)NC2CCN(C2)C2CCC2)c(Cl)c1
Show InChI InChI=1S/C23H34ClN3O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-7-21(22(24)14-20)23(28)25-17-8-11-27(15-17)18-4-3-5-18/h6-7,14,16-19H,3-5,8-13,15H2,1-2H3,(H,25,28)
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18n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138121
PNG
(CHEMBL3754205)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-17(2)26-13-10-19(16-26)24-23(27)18-6-8-21(9-7-18)28-22-11-14-25(15-12-22)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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27n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138103
PNG
(CHEMBL3752696)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCOCC2)cc1
Show InChI InChI=1S/C19H28N2O3/c1-14(2)21-10-7-16(13-21)20-19(22)15-3-5-17(6-4-15)24-18-8-11-23-12-9-18/h3-6,14,16,18H,7-13H2,1-2H3,(H,20,22)
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103n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138116
PNG
(CHEMBL3754674)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1C)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1S/C24H37N3O2/c1-17(2)26-13-10-22(11-14-26)29-23-8-7-19(15-18(23)3)24(28)25-20-9-12-27(16-20)21-5-4-6-21/h7-8,15,17,20-22H,4-6,9-14,16H2,1-3H3,(H,25,28)
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384n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138115
PNG
(CHEMBL3754726)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)c(C)c1
Show InChI InChI=1S/C23H37N3O2/c1-16(2)25-12-9-21(10-13-25)28-22-7-6-19(14-18(22)5)23(27)24-20-8-11-26(15-20)17(3)4/h6-7,14,16-17,20-21H,8-13,15H2,1-5H3,(H,24,27)
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1.36E+3n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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n/an/a 4.80n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1S/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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n/an/a 274n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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n/an/a 324n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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n/an/a 459n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50138121
PNG
(CHEMBL3754205)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-17(2)26-13-10-19(16-26)24-23(27)18-6-8-21(9-7-18)28-22-11-14-25(15-12-22)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 after 2 mins by LC-MS/MS analysis


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50138121
PNG
(CHEMBL3754205)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C23H35N3O2/c1-17(2)26-13-10-19(16-26)24-23(27)18-6-8-21(9-7-18)28-22-11-14-25(15-12-22)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 12 mins by LC-MS/MS analysis


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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n/an/a>4.50E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 12 mins by LC-MS/MS analysis


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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n/an/a>4.50E+4n/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4 after 2 mins by LC-MS/MS analysis


Eur J Med Chem 108: 655-62 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.005
BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%