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Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'everson' and Initial = 'a'   
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))
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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PubMed
0.600n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
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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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328940
PNG
((4-isopropyl-1,4-diazepan-1-yl)(1-methyl-3-(morpho...)
Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc2c(CN3CCOCC3)cn(C)c2c1
Show InChI InChI=1S/C23H34N4O2/c1-18(2)26-7-4-8-27(10-9-26)23(28)19-5-6-21-20(16-24(3)22(21)15-19)17-25-11-13-29-14-12-25/h5-6,15-16,18H,4,7-14,17H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
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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0.970n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321465
PNG
((6-(3-chlorophenoxy)pyridin-3-yl)(4-cyclobutyl-1,4...)
Show SMILES Clc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317720
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...)
Show SMILES CS(=O)(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H30FN3O4S/c1-30(27,28)25-15-19(29-18-8-6-16(22)7-9-18)14-20(25)21(26)24-11-3-10-23(12-13-24)17-4-2-5-17/h6-9,17,19-20H,2-5,10-15H2,1H3/t19-,20+/m0/s1
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1.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317711
PNG
(((2R,4S)-4-(4-chloro-3-methylphenoxy)pyrrolidin-2-...)
Show SMILES Cc1cc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)ccc1Cl |r|
Show InChI InChI=1S/C21H30ClN3O2/c1-15-12-17(6-7-19(15)22)27-18-13-20(23-14-18)21(26)25-9-3-8-24(10-11-25)16-4-2-5-16/h6-7,12,16,18,20,23H,2-5,8-11,13-14H2,1H3/t18-,20+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321467
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(4-fluorophenox...)
Show SMILES Fc1ccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-17-6-8-19(9-7-17)27-20-10-5-16(15-23-20)21(26)25-12-2-11-24(13-14-25)18-3-1-4-18/h5-10,15,18H,1-4,11-14H2
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1.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328939
PNG
((4-cyclobutylpiperazin-1-yl)(3-(morpholinomethyl)-...)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc2c(CN3CCOCC3)c[nH]c2c1
Show InChI InChI=1S/C22H30N4O2/c27-22(26-8-6-25(7-9-26)19-2-1-3-19)17-4-5-20-18(15-23-21(20)14-17)16-24-10-12-28-13-11-24/h4-5,14-15,19,23H,1-3,6-13,16H2
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1.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317706
PNG
(1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...)
Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H30FN3O3/c1-16(27)26-15-20(29-19-8-6-17(23)7-9-19)14-21(26)22(28)25-11-3-10-24(12-13-25)18-4-2-5-18/h6-9,18,20-21H,2-5,10-15H2,1H3/t20-,21+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321503
PNG
((5-(3,4-dichlorophenoxy)pyridin-2-yl)(4-isopropyl-...)
Show SMILES CC(C)N1CCCN(CC1)C(=O)c1ccc(Oc2ccc(Cl)c(Cl)c2)cn1
Show InChI InChI=1S/C20H23Cl2N3O2/c1-14(2)24-8-3-9-25(11-10-24)20(26)19-7-5-16(13-23-19)27-15-4-6-17(21)18(22)12-15/h4-7,12-14H,3,8-11H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328942
PNG
((4-cyclobutylpiperazin-1-yl)(3-(piperidin-1-ylmeth...)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1cccc2c(CN3CCCCC3)c[nH]c12
Show InChI InChI=1S/C23H32N4O/c28-23(27-14-12-26(13-15-27)19-6-4-7-19)21-9-5-8-20-18(16-24-22(20)21)17-25-10-2-1-3-11-25/h5,8-9,16,19,24H,1-4,6-7,10-15,17H2
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PubMed
1.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317698
PNG
(1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...)
Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccc(F)c1 |r|
Show InChI InChI=1S/C22H30FN3O3/c1-16(27)26-15-20(29-19-8-2-5-17(23)13-19)14-21(26)22(28)25-10-4-9-24(11-12-25)18-6-3-7-18/h2,5,8,13,18,20-21H,3-4,6-7,9-12,14-15H2,1H3/t20-,21+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317700
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...)
Show SMILES Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
Show InChI InChI=1S/C20H28FN3O2/c21-15-5-7-17(8-6-15)26-18-13-19(22-14-18)20(25)24-10-2-9-23(11-12-24)16-3-1-4-16/h5-8,16,18-19,22H,1-4,9-14H2/t18-,19+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321466
PNG
(3-(5-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyridi...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2cccc(c2)C#N)nc1
Show InChI InChI=1S/C22H24N4O2/c23-15-17-4-1-7-20(14-17)28-21-9-8-18(16-24-21)22(27)26-11-3-10-25(12-13-26)19-5-2-6-19/h1,4,7-9,14,16,19H,2-3,5-6,10-13H2
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1.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317716
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-fluo...)
Show SMILES CN1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H30FN3O2/c1-23-15-19(27-18-8-6-16(22)7-9-18)14-20(23)21(26)25-11-3-10-24(12-13-25)17-4-2-5-17/h6-9,17,19-20H,2-5,10-15H2,1H3/t19-,20+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328935
PNG
((4-isopropylpiperazin-1-yl)(1-(methylsulfonyl)-3-(...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCCCC3)cn(c2c1)S(C)(=O)=O
Show InChI InChI=1S/C23H34N4O3S/c1-18(2)25-11-13-26(14-12-25)23(28)19-7-8-21-20(16-24-9-5-4-6-10-24)17-27(22(21)15-19)31(3,29)30/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317701
PNG
(((2R,4S)-4-(4-chlorophenoxy)pyrrolidin-2-yl)(4-cyc...)
Show SMILES Clc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
Show InChI InChI=1S/C20H28ClN3O2/c21-15-5-7-17(8-6-15)26-18-13-19(22-14-18)20(25)24-10-2-9-23(11-12-24)16-3-1-4-16/h5-8,16,18-19,22H,1-4,9-14H2/t18-,19+/m0/s1
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2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328938
PNG
((4-cyclopropylpiperazin-1-yl)(3-(morpholinomethyl)...)
Show SMILES O=C(N1CCN(CC1)C1CC1)c1ccc2c(CN3CCOCC3)c[nH]c2c1
Show InChI InChI=1S/C21H28N4O2/c26-21(25-7-5-24(6-8-25)18-2-3-18)16-1-4-19-17(14-22-20(19)13-16)15-23-9-11-27-12-10-23/h1,4,13-14,18,22H,2-3,5-12,15H2
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2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
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& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328932
PNG
((4-isopropylpiperazin-1-yl)(3-(morpholinomethyl)-1...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCOCC3)c[nH]c2c1
Show InChI InChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-19-18(14-22-20(19)13-17)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317728
PNG
(1-((2R,4S)-2-(4-cyclopentyl-1,4-diazepane-1-carbon...)
Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCCC1)Oc1cccc(F)c1 |r|
Show InChI InChI=1S/C23H32FN3O3/c1-17(28)27-16-21(30-20-9-4-6-18(24)14-20)15-22(27)23(29)26-11-5-10-25(12-13-26)19-7-2-3-8-19/h4,6,9,14,19,21-22H,2-3,5,7-8,10-13,15-16H2,1H3/t21-,22+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321496
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(phenylthio)pyr...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)nc1
Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2
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2.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317703
PNG
(4-((3S,5R)-5-(4-cyclobutyl-1,4-diazepane-1-carbony...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C21H28N4O2/c22-14-16-5-7-18(8-6-16)27-19-13-20(23-15-19)21(26)25-10-2-9-24(11-12-25)17-3-1-4-17/h5-8,17,19-20,23H,1-4,9-13,15H2/t19-,20+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317702
PNG
(((2R,4S)-4-(3-chlorophenoxy)pyrrolidin-2-yl)(4-cyc...)
Show SMILES Clc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
Show InChI InChI=1S/C20H28ClN3O2/c21-15-4-1-7-17(12-15)26-18-13-19(22-14-18)20(25)24-9-3-8-23(10-11-24)16-5-2-6-16/h1,4,7,12,16,18-19,22H,2-3,5-6,8-11,13-14H2/t18-,19+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317686
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridi...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1cccnc1)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C19H28N4O2/c24-19(23-9-3-8-22(10-11-23)15-4-1-5-15)18-12-17(14-21-18)25-16-6-2-7-20-13-16/h2,6-7,13,15,17-18,21H,1,3-5,8-12,14H2/t17-,18+/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317688
PNG
(1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...)
Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccsc1 |r|
Show InChI InChI=1S/C20H29N3O3S/c1-15(24)23-13-18(26-17-6-11-27-14-17)12-19(23)20(25)22-8-3-7-21(9-10-22)16-4-2-5-16/h6,11,14,16,18-19H,2-5,7-10,12-13H2,1H3/t18-,19+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317713
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-(met...)
Show SMILES CSc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
Show InChI InChI=1S/C21H31N3O2S/c1-27-19-8-6-17(7-9-19)26-18-14-20(22-15-18)21(25)24-11-3-10-23(12-13-24)16-4-2-5-16/h6-9,16,18,20,22H,2-5,10-15H2,1H3/t18-,20+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328931
PNG
((4-isopropylpiperazin-1-yl)(3-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc2c(CN3CCCCC3)c[nH]c2c1
Show InChI InChI=1S/C22H32N4O/c1-17(2)25-10-12-26(13-11-25)22(27)18-6-7-20-19(15-23-21(20)14-18)16-24-8-4-3-5-9-24/h6-7,14-15,17,23H,3-5,8-13,16H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317708
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(o-toly...)
Show SMILES Cc1ccccc1O[C@@H]1CN[C@H](C1)C(=O)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C21H31N3O2/c1-16-6-2-3-9-20(16)26-18-14-19(22-15-18)21(25)24-11-5-10-23(12-13-24)17-7-4-8-17/h2-3,6,9,17-19,22H,4-5,7-8,10-15H2,1H3/t18-,19+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321463
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenox...)
Show SMILES Fc1ccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3O2/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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2.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317705
PNG
(4-((3S,5R)-5-(4-cyclopentyl-1,4-diazepane-1-carbon...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccc(cc1)C#N)N1CCCN(CC1)C1CCCC1 |r|
Show InChI InChI=1S/C22H30N4O2/c23-15-17-6-8-19(9-7-17)28-20-14-21(24-16-20)22(27)26-11-3-10-25(12-13-26)18-4-1-2-5-18/h6-9,18,20-21,24H,1-5,10-14,16H2/t20-,21+/m0/s1
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3.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317699
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(3-fluo...)
Show SMILES Fc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
Show InChI InChI=1S/C20H28FN3O2/c21-15-4-1-7-17(12-15)26-18-13-19(22-14-18)20(25)24-9-3-8-23(10-11-24)16-5-2-6-16/h1,4,7,12,16,18-19,22H,2-3,5-6,8-11,13-14H2/t18-,19+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317687
PNG
(1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...)
Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1cccs1 |r|
Show InChI InChI=1S/C20H29N3O3S/c1-15(24)23-14-17(26-19-7-3-12-27-19)13-18(23)20(25)22-9-4-8-21(10-11-22)16-5-2-6-16/h3,7,12,16-18H,2,4-6,8-11,13-14H2,1H3/t17-,18+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321497
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(phenylthio)pyr...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Sc2ccccc2)cn1
Show InChI InChI=1S/C21H25N3OS/c25-21(24-13-5-12-23(14-15-24)17-6-4-7-17)20-11-10-19(16-22-20)26-18-8-2-1-3-9-18/h1-3,8-11,16-17H,4-7,12-15H2
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3.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321468
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-(3-fluorophenox...)
Show SMILES Fc1cccc(Oc2ccc(cn2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24FN3O2/c22-17-4-1-7-19(14-17)27-20-9-8-16(15-23-20)21(26)25-11-3-10-24(12-13-25)18-5-2-6-18/h1,4,7-9,14-15,18H,2-3,5-6,10-13H2
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317704
PNG
((4-cyclopentyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-flu...)
Show SMILES Fc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C21H30FN3O2/c22-16-6-8-18(9-7-16)27-19-14-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-4-1-2-5-17/h6-9,17,19-20,23H,1-5,10-15H2/t19-,20+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317714
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(4-(tri...)
Show SMILES FC(F)(F)c1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
Show InChI InChI=1S/C21H28F3N3O2/c22-21(23,24)15-5-7-17(8-6-15)29-18-13-19(25-14-18)20(28)27-10-2-9-26(11-12-27)16-3-1-4-16/h5-8,16,18-19,25H,1-4,9-14H2/t18-,19+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321498
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(2-fluorophenox...)
Show SMILES Fc1ccccc1Oc1ccc(nc1)C(=O)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C21H24FN3O2/c22-18-7-1-2-8-20(18)27-17-9-10-19(23-15-17)21(26)25-12-4-11-24(13-14-25)16-5-3-6-16/h1-2,7-10,15-16H,3-6,11-14H2
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4.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321472
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(6-phenoxypyridin-...)
Show SMILES O=C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ccccc2)nc1
Show InChI InChI=1S/C21H25N3O2/c25-21(24-13-5-12-23(14-15-24)18-6-4-7-18)17-10-11-20(22-16-17)26-19-8-2-1-3-9-19/h1-3,8-11,16,18H,4-7,12-15H2
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4.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317685
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridi...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccccn1)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C19H28N4O2/c24-19(23-10-4-9-22(11-12-23)15-5-3-6-15)17-13-16(14-21-17)25-18-7-1-2-8-20-18/h1-2,7-8,15-17,21H,3-6,9-14H2/t16-,17+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321469
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenyl...)
Show SMILES Fc1ccc(Sc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C21H24FN3OS/c22-16-5-7-18(8-6-16)27-19-9-10-20(23-15-19)21(26)25-12-2-11-24(13-14-25)17-3-1-4-17/h5-10,15,17H,1-4,11-14H2
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4.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50321500
PNG
((5-(3-chlorophenoxy)pyridin-2-yl)(4-cyclobutyl-1,4...)
Show SMILES Clc1cccc(Oc2ccc(nc2)C(=O)N2CCCN(CC2)C2CCC2)c1
Show InChI InChI=1S/C21H24ClN3O2/c22-16-4-1-7-18(14-16)27-19-8-9-20(23-15-19)21(26)25-11-3-10-24(12-13-25)17-5-2-6-17/h1,4,7-9,14-15,17H,2-3,5-6,10-13H2
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4.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation countin...


Bioorg Med Chem Lett 20: 4210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.041
BindingDB Entry DOI: 10.7270/Q29G5NS9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317710
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(p-toly...)
Show SMILES Cc1ccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)cc1 |r|
Show InChI InChI=1S/C21H31N3O2/c1-16-6-8-18(9-7-16)26-19-14-20(22-15-19)21(25)24-11-3-10-23(12-13-24)17-4-2-5-17/h6-9,17,19-20,22H,2-5,10-15H2,1H3/t19-,20+/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50328943
PNG
((4-cyclobutylpiperazin-1-yl)(3-(morpholinomethyl)-...)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1cccc2c(CN3CCOCC3)c[nH]c12
Show InChI InChI=1S/C22H30N4O2/c27-22(26-9-7-25(8-10-26)18-3-1-4-18)20-6-2-5-19-17(15-23-21(19)20)16-24-11-13-28-14-12-24/h2,5-6,15,18,23H,1,3-4,7-14,16H2
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4.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317712
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(3-meth...)
Show SMILES COc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
Show InChI InChI=1S/C21H31N3O3/c1-26-17-7-3-8-18(13-17)27-19-14-20(22-15-19)21(25)24-10-4-9-23(11-12-24)16-5-2-6-16/h3,7-8,13,16,19-20,22H,2,4-6,9-12,14-15H2,1H3/t19-,20+/m0/s1
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5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317709
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(m-toly...)
Show SMILES Cc1cccc(O[C@@H]2CN[C@H](C2)C(=O)N2CCCN(CC2)C2CCC2)c1 |r|
Show InChI InChI=1S/C21H31N3O2/c1-16-5-2-8-18(13-16)26-19-14-20(22-15-19)21(25)24-10-4-9-23(11-12-24)17-6-3-7-17/h2,5,8,13,17,19-20,22H,3-4,6-7,9-12,14-15H2,1H3/t19-,20+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317707
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-phenoxy...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccccc1)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C20H29N3O2/c24-20(23-11-5-10-22(12-13-23)16-6-4-7-16)19-14-18(15-21-19)25-17-8-2-1-3-9-17/h1-3,8-9,16,18-19,21H,4-7,10-15H2/t18-,19+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317684
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(thioph...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccsc1)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C18H27N3O2S/c22-18(17-11-16(12-19-17)23-15-5-10-24-13-15)21-7-2-6-20(8-9-21)14-3-1-4-14/h5,10,13-14,16-17,19H,1-4,6-9,11-12H2/t16-,17+/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50317689
PNG
(1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbony...)
Show SMILES CC(=O)N1C[C@H](C[C@@H]1C(=O)N1CCCN(CC1)C1CCC1)Oc1ccccn1 |r|
Show InChI InChI=1S/C21H30N4O3/c1-16(26)25-15-18(28-20-8-2-3-9-22-20)14-19(25)21(27)24-11-5-10-23(12-13-24)17-6-4-7-17/h2-3,8-9,17-19H,4-7,10-15H2,1H3/t18-,19+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair
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