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Compile Data Set for Download or QSAR

Found 404 hits with Last Name = 'fraser' and Initial = 'c'   
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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM86231
PNG
(ATR | ATROPINE | Atropine,(-) | CAS_51-55-8 | CHEM...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3
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0.290n/an/an/an/an/an/an/an/a



University of Arizona

Curated by PDSP Ki Database




J Pharmacol Exp Ther 248: 661-70 (1989)


BindingDB Entry DOI: 10.7270/Q2RF5SH2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089369
PNG
(CHEMBL3577959)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CCC2)CC1
Show InChI InChI=1S/C21H30FN3O/c22-19-8-10-23(11-9-19)16-17-4-6-18(7-5-17)21(26)25-14-12-24(13-15-25)20-2-1-3-20/h4-7,19-20H,1-3,8-16H2
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0.700n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
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 |w:14.14,8.8|
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))
BDBM50206229
PNG
(3-(9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,10b-hex...)
Show SMILES Oc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:13.13,7.7|
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50209802
PNG
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)
Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5|
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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0.720n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3


Bioorg Med Chem Lett 17: 5325-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198598
PNG
(CHEMBL396945 | N-ethyl-3-(4-(4-methoxyphenyl)-2-me...)
Show SMILES CCNCCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:11.19|
Show InChI InChI=1S/C22H30N2O2/c1-4-23-12-5-13-26-20-10-11-21-18(14-20)15-24(2)16-22(21)17-6-8-19(25-3)9-7-17/h6-11,14,22-23H,4-5,12-13,15-16H2,1-3H3
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0.730n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50184767
PNG
(CHEMBL3824089)
Show SMILES COc1cc(ccc1NC(=O)OC(C)(C)C)-c1nn(CCN2CCC(CC2)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)
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0.800n/an/an/an/an/an/an/an/a



University of Edinburgh

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His-tagged full length human SRC expressed in insect cells preincubated for 20 mins using poly[Glu,Tyr]4:1 as su...


J Med Chem 59: 4697-710 (2016)


BindingDB Entry DOI: 10.7270/Q2B85B2D
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 |w:14.14,8.8|
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))
BDBM50206222
PNG
(6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...)
Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12|
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))
BDBM50089375
PNG
(CHEMBL3577953)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C19H29N3O/c1-16(2)21-11-13-22(14-12-21)19(23)18-7-5-17(6-8-18)15-20-9-3-4-10-20/h5-8,16H,3-4,9-15H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198609
PNG
(7-(3-(azetidin-1-yl)propoxy)-4-(4-methoxyphenyl)-2...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC3)ccc12 |w:8.8|
Show InChI InChI=1S/C23H30N2O2/c1-24-16-19-15-21(27-14-4-13-25-11-3-12-25)9-10-22(19)23(17-24)18-5-7-20(26-2)8-6-18/h5-10,15,23H,3-4,11-14,16-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089374
PNG
(CHEMBL3577954)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCCC2)cc1
Show InChI InChI=1S/C21H33N3O/c1-18(2)23-13-15-24(16-14-23)21(25)20-9-7-19(8-10-20)17-22-11-5-3-4-6-12-22/h7-10,18H,3-6,11-17H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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 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 |w:8.8,14.14|
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
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 |w:7.7,13.13|
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))
BDBM50206227
PNG
(6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
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))
BDBM50206225
PNG
(6-(4-nitrophenyl)-9-(3-(piperidin-1-yl)propoxy)-1,...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:15.15,9.9|
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
Monoamine transporters; Norepinephrine & serotonin


(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 |w:13.13,7.7|
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198585
PNG
(7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8|
Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50346208
PNG
((1-isopropylpiperidin-4-yl)(4-(piperidin-1-ylmethy...)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H31N3O/c1-17(2)22-12-14-23(15-13-22)20(24)19-8-6-18(7-9-19)16-21-10-4-3-5-11-21/h6-9,17H,3-5,10-16H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089372
PNG
(CHEMBL3577956)
Show SMILES O=C(N1CCN(CC1)C1CCC1)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C20H29N3O2/c24-20(23-10-8-22(9-11-23)19-2-1-3-19)18-6-4-17(5-7-18)16-21-12-14-25-15-13-21/h4-7,19H,1-3,8-16H2
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1.30n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198599
PNG
(1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12 |w:8.8|
Show InChI InChI=1S/C25H34N2O3/c1-26-17-20-16-23(30-15-3-12-27-13-10-21(28)11-14-27)8-9-24(20)25(18-26)19-4-6-22(29-2)7-5-19/h4-9,16,21,25,28H,3,10-15,17-18H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089370
PNG
(CHEMBL3577958)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(CN2CCC(F)CC2)cc1
Show InChI InChI=1S/C20H30FN3O/c1-16(2)23-11-13-24(14-12-23)20(25)18-5-3-17(4-6-18)15-22-9-7-19(21)8-10-22/h3-6,16,19H,7-15H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198607
PNG
(7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...)
Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22|
Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3
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1.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8|
Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
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 |w:15.15,9.9|
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))
BDBM50198596
PNG
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)
Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21|
Show InChI InChI=1S/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
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 |w:7.7,13.13|
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 |w:13.13,7.7|
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 |w:14.14,8.8|
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198585
PNG
(7-(3-(4-isopropylpiperazin-1-yl)propoxy)-4-(4-meth...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCN(CC3)C(C)C)ccc12 |w:8.8|
Show InChI InChI=1S/C27H39N3O2/c1-21(2)30-15-13-29(14-16-30)12-5-17-32-25-10-11-26-23(18-25)19-28(3)20-27(26)22-6-8-24(31-4)9-7-22/h6-11,18,21,27H,5,12-17,19-20H2,1-4H3
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1.80n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(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 receptor (H3)


(Homo sapiens (Human))
BDBM50206219
PNG
(9-(3-(piperidin-1-yl)propoxy)-6-(3-(trifluoromethy...)
Show SMILES FC(F)(F)c1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:16.16,10.10|
Show InChI InChI=1S/C27H33F3N2O/c28-27(29,30)21-8-4-7-20(17-21)25-19-32-15-5-9-26(32)24-18-22(10-11-23(24)25)33-16-6-14-31-12-2-1-3-13-31/h4,7-8,10-11,17-18,25-26H,1-3,5-6,9,12-16,19H2
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2n/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))
BDBM50206232
PNG
(6-(3-ethynylphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES C#Cc1cccc(c1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:8.8,14.14|
Show InChI InChI=1S/C28H34N2O/c1-2-22-9-6-10-23(19-22)27-21-30-17-7-11-28(30)26-20-24(12-13-25(26)27)31-18-8-16-29-14-4-3-5-15-29/h1,6,9-10,12-13,19-20,27-28H,3-5,7-8,11,14-18,21H2
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2n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8|
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30130
PNG
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)
Show SMILES CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198604
PNG
(7-(3-(3,3-difluoroazetidin-1-yl)propoxy)-4-(4-meth...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CC(F)(F)C3)ccc12 |w:8.8|
Show InChI InChI=1S/C23H28F2N2O2/c1-26-13-18-12-20(29-11-3-10-27-15-23(24,25)16-27)8-9-21(18)22(14-26)17-4-6-19(28-2)7-5-17/h4-9,12,22H,3,10-11,13-16H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206224
PNG
(9-(3-(piperidin-1-yl)propoxy)-6-p-tolyl-1,2,3,5,6,...)
Show SMILES Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
Show InChI InChI=1S/C27H36N2O/c1-21-8-10-22(11-9-21)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)30-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3
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2n/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


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8|
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Binding affinity at human histamine H3


Bioorg Med Chem Lett 17: 5325-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50198607
PNG
(7-(3-(4-ethylpiperazin-1-yl)propoxy)-4-(4-methoxyp...)
Show SMILES CCN1CCN(CCCOc2ccc3C(CN(C)Cc3c2)c2ccc(OC)cc2)CC1 |w:14.22|
Show InChI InChI=1S/C26H37N3O2/c1-4-28-13-15-29(16-14-28)12-5-17-31-24-10-11-25-22(18-24)19-27(2)20-26(25)21-6-8-23(30-3)9-7-21/h6-11,18,26H,4-5,12-17,19-20H2,1-3H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50206222
PNG
(6-phenyl-9-(3-(piperidin-1-yl)propoxy)-1,2,3,5,6,1...)
Show SMILES C(COc1ccc2C(CN3CCCC3c2c1)c1ccccc1)CN1CCCCC1 |w:7.18,13.12|
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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2n/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))
BDBM50198593
PNG
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8|
Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50198590
PNG
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8|
Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50089368
PNG
(CHEMBL3577960)
Show SMILES FC1CCN(Cc2ccc(cc2)C(=O)N2CCN(CC2)C2CC2)CC1
Show InChI InChI=1S/C20H28FN3O/c21-18-7-9-22(10-8-18)15-16-1-3-17(4-2-16)20(25)24-13-11-23(12-14-24)19-5-6-19/h1-4,18-19H,5-15H2
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Company

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells after 45 mins


ACS Med Chem Lett 6: 450-4 (2015)


Article DOI: 10.1021/ml5005156
BindingDB Entry DOI: 10.7270/Q22F7Q59
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198602
PNG
((1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrah...)
Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(CO)CC3)ccc12 |w:8.8|
Show InChI InChI=1S/C26H36N2O3/c1-27-17-22-16-24(31-15-3-12-28-13-10-20(19-29)11-14-28)8-9-25(22)26(18-27)21-4-6-23(30-2)7-5-21/h4-9,16,20,26,29H,3,10-15,17-19H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50198596
PNG
(CHEMBL427845 | N,N-diethyl-3-(4-(4-methoxyphenyl)-...)
Show SMILES CCN(CC)CCCOc1ccc2C(CN(C)Cc2c1)c1ccc(OC)cc1 |w:13.21|
Show InChI InChI=1S/C24H34N2O2/c1-5-26(6-2)14-7-15-28-22-12-13-23-20(16-22)17-25(3)18-24(23)19-8-10-21(27-4)11-9-19/h8-13,16,24H,5-7,14-15,17-18H2,1-4H3
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2.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat SERT


Bioorg Med Chem Lett 17: 702-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.089
BindingDB Entry DOI: 10.7270/Q23B5ZSS
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50206237
PNG
(6-(4-chlorophenyl)-9-(3-(piperidin-1-yl)propoxy)-1...)
Show SMILES Clc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:7.7,13.13|
Show InChI InChI=1S/C26H33ClN2O/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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2.20n/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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50206218
PNG
(6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
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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2.20n/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
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