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Compile Data Set for Download or QSAR

Found 1464 hits with Last Name = 'wolin' and Initial = 'rl'   
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))
BDBM50209809
PNG
(4-(3-(dimethylamino)-1-(4-(3-(piperidin-1-yl)propo...)
Show SMILES CN(C)CCC(Oc1ccc(cc1)C#N)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H35N3O2/c1-28(2)19-15-26(31-25-11-7-22(21-27)8-12-25)23-9-13-24(14-10-23)30-20-6-18-29-16-4-3-5-17-29/h7-14,26H,3-6,15-20H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM335426
PNG
(4-[(3R)-3-(Methylamino)pyrrolidin-1-yl]-N-[(1R,2R,...)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(N[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c1
Show InChI InChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15-,17-,18-/m1/s1
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US Patent
0.5n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209802
PNG
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)
Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206229
PNG
(3-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...)
Show SMILES Oc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C26H34N2O2/c29-21-8-4-7-20(17-21)25-19-28-15-5-9-26(28)24-18-22(10-11-23(24)25)30-16-6-14-27-12-2-1-3-13-27/h4,7-8,10-11,17-18,25-26,29H,1-3,5-6,9,12-16,19H2
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0.700n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206218
PNG
(6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3
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0.700n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209815
PNG
(3-(3-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...)
Show SMILES COc1cccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)c1
Show InChI InChI=1S/C26H38N2O3/c1-27(2)19-15-26(31-25-10-7-9-24(21-25)29-3)22-11-13-23(14-12-22)30-20-8-18-28-16-5-4-6-17-28/h7,9-14,21,26H,4-6,8,15-20H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209810
PNG
(CHEMBL245516 | N,N-dimethyl-3-(4-(3-(piperidin-1-y...)
Show SMILES CN(C)CCC(Oc1ccc(C)cc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209806
PNG
(CHEMBL245307 | N,N-dimethyl-3-phenyl-3-(3-(3-(pipe...)
Show SMILES CN(C)CCC(Oc1cccc(OCCCN2CCCCC2)c1)c1ccccc1
Show InChI InChI=1S/C25H36N2O2/c1-26(2)19-15-25(22-11-5-3-6-12-22)29-24-14-9-13-23(21-24)28-20-10-18-27-16-7-4-8-17-27/h3,5-6,9,11-14,21,25H,4,7-8,10,15-20H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209816
PNG
(3-(4-(1-isopropylpiperidin-4-yloxy)phenyl)-N,N-dim...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(CCN(C)C)Oc1ccccc1
Show InChI InChI=1S/C25H36N2O2/c1-20(2)27-18-14-24(15-19-27)28-23-12-10-21(11-13-23)25(16-17-26(3)4)29-22-8-6-5-7-9-22/h5-13,20,24-25H,14-19H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209812
PNG
((4-(3-(dimethylamino)-1-phenoxypropyl)phenyl)(4-is...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)C(CCN(C)C)Oc1ccccc1
Show InChI InChI=1S/C25H35N3O2/c1-20(2)27-16-18-28(19-17-27)25(29)22-12-10-21(11-13-22)24(14-15-26(3)4)30-23-8-6-5-7-9-23/h5-13,20,24H,14-19H2,1-4H3
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0.800n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206218
PNG
(6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3
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0.800n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209805
PNG
(3-(3-chlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1cccc(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35ClN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209800
PNG
(CHEMBL394321 | N,N-dimethyl-3-(4-(methylthio)pheno...)
Show SMILES CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H38N2O2S/c1-27(2)20-16-26(30-24-12-14-25(31-3)15-13-24)22-8-10-23(11-9-22)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206222
PNG
(6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...)
Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1
Show InChI InChI=1S/C26H34N2O/c1-3-9-21(10-4-1)25-20-28-17-7-11-26(28)24-19-22(12-13-23(24)25)29-18-8-16-27-14-5-2-6-15-27/h1,3-4,9-10,12-13,19,25-26H,2,5-8,11,14-18,20H2
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0.900n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209799
PNG
(3-(3,4-dichlorophenoxy)-N,N-dimethyl-3-(4-(3-(pipe...)
Show SMILES CN(C)CCC(Oc1ccc(Cl)c(Cl)c1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H34Cl2N2O2/c1-28(2)17-13-25(31-22-11-12-23(26)24(27)19-22)20-7-9-21(10-8-20)30-18-6-16-29-14-4-3-5-15-29/h7-12,19,25H,3-6,13-18H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211619
PNG
((S)-N-(1-(4-(4-ethoxy-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES CCOc1ccc(c(c1)S(=O)(=O)c1ccccc1F)S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO7S3/c1-3-35-17-10-13-21(22(14-17)37(31,32)20-7-5-4-6-19(20)24)36(29,30)18-11-8-16(9-12-18)15(2)28-38(33,34)23(25,26)27/h4-15,28H,3H2,1-2H3/t15-/m0/s1
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0.900n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
BindingDB Entry DOI: 10.7270/Q2HQ3ZKV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209813
PNG
(CHEMBL246125 | N,N-dimethyl-3-(4-nitrophenoxy)-3-(...)
Show SMILES CN(C)CCC(Oc1ccc(cc1)[N+]([O-])=O)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35N3O4/c1-26(2)19-15-25(32-24-13-9-22(10-14-24)28(29)30)21-7-11-23(12-8-21)31-20-6-18-27-16-4-3-5-17-27/h7-14,25H,3-6,15-20H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006745
PNG
(CHEMBL3236556)
Show SMILES N[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1
Show InChI InChI=1S/C13H21N5/c14-10-5-6-18(8-10)12-7-11(16-13(15)17-12)9-3-1-2-4-9/h7,9-10H,1-6,8,14H2,(H2,15,16,17)/t10-/m1/s1
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0.920n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50209802
PNG
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)
Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
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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 at rat SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061098
PNG
(CHEMBL3393534 | US9732087, 1)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)c1
Show InChI InChI=1S/C17H26N4/c1-18-14-5-7-21(11-14)15-4-6-19-17(10-15)20-16-9-12-2-3-13(16)8-12/h4,6,10,12-14,16,18H,2-3,5,7-9,11H2,1H3,(H,19,20)/t12?,13?,14-,16?/m1/s1
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)

More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061008
PNG
(CHEMBL3393556 | US9732087, 96)
Show SMILES CN[C@@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1
Show InChI InChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m1/s1
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)

More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM335425
PNG
(4-[(3R)-3-(Methylamino)pyrrolidin-1-yl]-N-[(1S,2S,...)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1
Show InChI InChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15+,17-,18-/m0/s1
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)

More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209807
PNG
(3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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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 at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209820
PNG
(3-(4-methoxyphenoxy)-N,N-dimethyl-3-(4-(3-(piperid...)
Show SMILES COc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H38N2O3/c1-27(2)20-16-26(31-25-14-12-23(29-3)13-15-25)22-8-10-24(11-9-22)30-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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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 at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209811
PNG
(CHEMBL248377 | N,N-dimethyl-3-phenyl-3-(4-(3-(pipe...)
Show SMILES CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1
Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(22-10-5-3-6-11-22)29-24-14-12-23(13-15-24)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3
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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 at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209803
PNG
(3-(3-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin...)
Show SMILES CN(C)CCC(Oc1cccc(Br)c1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35BrN2O2/c1-27(2)18-14-25(30-24-9-6-8-22(26)20-24)21-10-12-23(13-11-21)29-19-7-17-28-15-4-3-5-16-28/h6,8-13,20,25H,3-5,7,14-19H2,1-2H3
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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 at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006743
PNG
(CHEMBL3236554)
Show SMILES CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1
Show InChI InChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211617
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C22H19F4NO6S3/c1-14-7-12-20(21(13-14)35(30,31)19-6-4-3-5-18(19)23)34(28,29)17-10-8-16(9-11-17)15(2)27-36(32,33)22(24,25)26/h3-13,15,27H,1-2H3/t15-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
BindingDB Entry DOI: 10.7270/Q2HQ3ZKV
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006742
PNG
(CHEMBL3236553)
Show SMILES Nc1nc(cc(n1)N1CCNCC1)C1CCCC1
Show InChI InChI=1S/C13H21N5/c14-13-16-11(10-3-1-2-4-10)9-12(17-13)18-7-5-15-6-8-18/h9-10,15H,1-8H2,(H2,14,16,17)
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1.20n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206228
PNG
(6-(3-chlorophenyl)-9-(3-(piperidin-1-yl)propoxy)-1...)
Show SMILES Clc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C26H33ClN2O/c27-21-8-4-7-20(17-21)25-19-29-15-5-9-26(29)24-18-22(10-11-23(24)25)30-16-6-14-28-12-2-1-3-13-28/h4,7-8,10-11,17-18,25-26H,1-3,5-6,9,12-16,19H2
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1.20n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206235
PNG
(4-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...)
Show SMILES N#Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H33N3O/c28-19-21-7-9-22(10-8-21)26-20-30-16-4-6-27(30)25-18-23(11-12-24(25)26)31-17-5-15-29-13-2-1-3-14-29/h7-12,18,26-27H,1-6,13-17,20H2
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1.20n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50209800
PNG
(CHEMBL394321 | N,N-dimethyl-3-(4-(methylthio)pheno...)
Show SMILES CSc1ccc(OC(CCN(C)C)c2ccc(OCCCN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C26H38N2O2S/c1-27(2)20-16-26(30-24-12-14-25(31-3)15-13-24)22-8-10-23(11-9-22)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206227
PNG
(6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3
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1.30n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209804
PNG
(CHEMBL245515 | N,N-dimethyl-3-phenoxy-3-(4-(4-(pip...)
Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(cc1)C#CCCN1CCCCC1
Show InChI InChI=1S/C26H34N2O/c1-27(2)22-18-26(29-25-12-5-3-6-13-25)24-16-14-23(15-17-24)11-7-10-21-28-19-8-4-9-20-28/h3,5-6,12-17,26H,4,8-10,18-22H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50206229
PNG
(3-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...)
Show SMILES Oc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C26H34N2O2/c29-21-8-4-7-20(17-21)25-19-28-15-5-9-26(28)24-18-22(10-11-23(24)25)30-16-6-14-27-12-2-1-3-13-27/h4,7-8,10-11,17-18,25-26,29H,1-3,5-6,9,12-16,19H2
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1.30n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from rat brain SERT


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206225
PNG
(6-(4-nitrophenyl)-9-(3-(piperidin-1-yl)propoxy)-1,...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C26H33N3O3/c30-29(31)21-9-7-20(8-10-21)25-19-28-16-4-6-26(28)24-18-22(11-12-23(24)25)32-17-5-15-27-13-2-1-3-14-27/h7-12,18,25-26H,1-6,13-17,19H2
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1.30n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50172158
PNG
((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H19ClFNO6S3/c1-14(24-31(2,25)26)15-7-10-17(11-8-15)32(27,28)20-12-9-16(22)13-21(20)33(29,30)19-6-4-3-5-18(19)23/h3-14,24H,1-2H3/t14-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
BindingDB Entry DOI: 10.7270/Q2HQ3ZKV
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211632
PNG
((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(O)cc1S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H17F4NO7S3/c1-13(26-36(32,33)21(23,24)25)14-6-9-16(10-7-14)34(28,29)19-11-8-15(27)12-20(19)35(30,31)18-5-3-2-4-17(18)22/h2-13,26-27H,1H3/t13-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
BindingDB Entry DOI: 10.7270/Q2HQ3ZKV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50209807
PNG
(3-(4-fluorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(F)cc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35FN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50211636
PNG
((S)-N-(1-(4-(4-cyclopropyl-2-(2-fluorophenylsulfon...)
Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(cc1S(=O)(=O)c1ccccc1F)C1CC1
Show InChI InChI=1S/C24H21F4NO6S3/c1-15(29-38(34,35)24(26,27)28)16-8-11-19(12-9-16)36(30,31)22-13-10-18(17-6-7-17)14-23(22)37(32,33)21-5-3-2-4-20(21)25/h2-5,8-15,17,29H,6-7H2,1H3/t15-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


Bioorg Med Chem Lett 17: 3760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.028
BindingDB Entry DOI: 10.7270/Q2HQ3ZKV
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006739
PNG
(CHEMBL3236552)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)C1CCCC1
Show InChI InChI=1S/C14H23N5/c1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17)
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1.40n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006761
PNG
(CHEMBL3236571)
Show SMILES CCCCc1cc(nc(N)n1)N1CC[C@H](C1)NC
Show InChI InChI=1S/C13H23N5/c1-3-4-5-10-8-12(17-13(14)16-10)18-7-6-11(9-18)15-2/h8,11,15H,3-7,9H2,1-2H3,(H2,14,16,17)/t11-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50209810
PNG
(CHEMBL245516 | N,N-dimethyl-3-(4-(3-(piperidin-1-y...)
Show SMILES CN(C)CCC(Oc1ccc(C)cc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H38N2O2/c1-22-8-12-25(13-9-22)30-26(16-20-27(2)3)23-10-14-24(15-11-23)29-21-7-19-28-17-5-4-6-18-28/h8-15,26H,4-7,16-21H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at rat SERT


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206233
PNG
(CHEMBL238951 | N,N-dimethyl-4-(9-(3-(piperidin-1-y...)
Show SMILES CN(C)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C28H39N3O/c1-29(2)23-11-9-22(10-12-23)27-21-31-18-6-8-28(31)26-20-24(13-14-25(26)27)32-19-7-17-30-15-4-3-5-16-30/h9-14,20,27-28H,3-8,15-19,21H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209819
PNG
(3-(4-chlorophenoxy)-N,N-dimethyl-3-(4-(3-(piperidi...)
Show SMILES CN(C)CCC(Oc1ccc(Cl)cc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35ClN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006769
PNG
(CHEMBL3236579)
Show SMILES CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H29N5/c1-21-15-2-3-24(11-15)17-7-16(22-18(20)23-17)19-8-12-4-13(9-19)6-14(5-12)10-19/h7,12-15,21H,2-6,8-11H2,1H3,(H2,20,22,23)/t12?,13?,14?,15-,19?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206236
PNG
(6-(4-fluorophenyl)-9-(3-(piperidin-1-yl)propoxy)-1...)
Show SMILES Fc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C26H33FN2O/c27-21-9-7-20(8-10-21)25-19-29-16-4-6-26(29)24-18-22(11-12-23(24)25)30-17-5-15-28-13-2-1-3-14-28/h7-12,18,25-26H,1-6,13-17,19H2
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1.70n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206217
PNG
(4-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...)
Show SMILES Oc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C26H34N2O2/c29-21-9-7-20(8-10-21)25-19-28-16-4-6-26(28)24-18-22(11-12-23(24)25)30-17-5-15-27-13-2-1-3-14-27/h7-12,18,25-26,29H,1-6,13-17,19H2
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1.70n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206221
PNG
(6-(3-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show InChI InChI=1S/C27H36N2O2/c1-30-22-9-5-8-21(18-22)26-20-29-16-6-10-27(29)25-19-23(11-12-24(25)26)31-17-7-15-28-13-3-2-4-14-28/h5,8-9,11-12,18-19,26-27H,2-4,6-7,10,13-17,20H2,1H3
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1.70n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50209817
PNG
(3-(4-bromophenoxy)-N,N-dimethyl-3-(4-(3-(piperidin...)
Show SMILES CN(C)CCC(Oc1ccc(Br)cc1)c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H35BrN2O2/c1-27(2)19-15-25(30-24-13-9-22(26)10-14-24)21-7-11-23(12-8-21)29-20-6-18-28-16-4-3-5-17-28/h7-14,25H,3-6,15-20H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3 receptor


Bioorg Med Chem Lett 17: 3130-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.034
BindingDB Entry DOI: 10.7270/Q2H131QK
More data for this
Ligand-Target Pair
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