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PubMed code 18768318

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263324
PNG
(CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
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n/an/a 0.540n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263323
PNG
(CHEMBL514217 | trans-3'-Oxo-3'H-spiro[cyclohexane-...)
Show SMILES CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
Show InChI InChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3/t17-,22-
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n/an/a 0.720n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263357
PNG
(CHEMBL478434 | trans-7'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1cccc2C(=O)O[C@]3(CC[C@@H](CC3)C(=O)N(C)CCN3CCCCC3)c12 |r,wU:10.9,wD:13.16,(14.73,-6.83,;15.42,-8.21,;14.58,-9.5,;13.03,-9.41,;12.19,-10.71,;12.89,-12.08,;14.42,-12.17,;15.39,-13.37,;14.99,-14.86,;16.84,-12.82,;16.76,-11.28,;16.76,-9.74,;18.09,-8.96,;19.42,-9.74,;19.42,-11.28,;18.09,-12.04,;20.76,-8.97,;20.76,-7.43,;22.09,-9.75,;23.42,-8.98,;22.08,-11.29,;23.41,-12.06,;23.41,-13.6,;22.07,-14.36,;22.06,-15.89,;23.39,-16.67,;24.73,-15.91,;24.74,-14.36,;15.27,-10.87,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(15-16-25-13-4-3-5-14-25)21(26)17-9-11-23(12-10-17)20-18(22(27)29-23)7-6-8-19(20)28-2/h6-8,17H,3-5,9-16H2,1-2H3/t17-,23-
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n/an/a 3.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263325
PNG
(CHEMBL507921 | trans-6'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2C(=O)O[C@]3(CC[C@@H](CC3)C(=O)N(C)CCN3CCCCC3)c2c1 |r,wU:9.8,wD:12.15,(-5.23,-6.51,;-6.07,-7.8,;-5.38,-9.18,;-6.22,-10.48,;-5.52,-11.85,;-3.99,-11.93,;-3.02,-13.14,;-3.42,-14.62,;-1.57,-12.59,;-1.65,-11.04,;-1.65,-9.5,;-.32,-8.73,;1.01,-9.5,;1.01,-11.04,;-.32,-11.81,;2.35,-8.74,;2.35,-7.2,;3.68,-9.51,;5.01,-8.75,;3.67,-11.05,;5,-11.83,;5,-13.37,;3.66,-14.12,;3.65,-15.66,;4.98,-16.44,;6.32,-15.67,;6.33,-14.13,;-3.14,-10.64,;-3.83,-9.26,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-16-18(28-2)6-7-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
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n/an/a 18n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263321
PNG
(CHEMBL476962 | N-methyl-3-oxo-N-[2-(piperidin-1-yl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)c1ccccc21
Show InChI InChI=1S/C21H29N3O3/c1-22(15-16-23-11-5-2-6-12-23)20(26)24-13-9-21(10-14-24)18-8-4-3-7-17(18)19(25)27-21/h3-4,7-8H,2,5-6,9-16H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264067
PNG
(CHEMBL521798 | N-methyl-3-oxo-N-[2-(piperidin-1-yl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-23(15-16-24-11-5-2-6-12-24)21(27)25-13-9-22(10-14-25)17-20(26)18-7-3-4-8-19(18)22/h3-4,7-8H,2,5-6,9-17H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264069
PNG
(CHEMBL491806 | N,2-dimethyl-3-oxo-N-[2-(piperidin-...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)N(C)C(=O)c1ccccc21
Show InChI InChI=1S/C22H32N4O2/c1-23(16-17-25-12-6-3-7-13-25)21(28)26-14-10-22(11-15-26)19-9-5-4-8-18(19)20(27)24(22)2/h4-5,8-9H,3,6-7,10-17H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264068
PNG
(CHEMBL504191 | N-methyl-3-oxo-N-[2-(piperidin-1-yl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc21
Show InChI InChI=1S/C21H30N4O2/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)18-8-4-3-7-17(18)19(26)22-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26)
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n/an/a 53n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264066
PNG
(CHEMBL491805 | N-methyl-4-oxo-N-[2-(piperidin-1-yl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
Show InChI InChI=1S/C22H31N3O3/c1-23(15-16-24-11-5-2-6-12-24)21(27)25-13-9-22(10-14-25)17-19(26)18-7-3-4-8-20(18)28-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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n/an/a 68n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263900
PNG
(CHEMBL523992 | N-methyl-4,4-diphenyl-N-(2-(piperid...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H35N3O/c1-27(21-22-28-17-9-4-10-18-28)25(30)29-19-15-26(16-20-29,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-3,5-8,11-14H,4,9-10,15-22H2,1H3
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n/an/a 98n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263844
PNG
(CHEMBL491614 | N-methyl-4-(naphthalen-2-yl)-N-(2-(...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H33N3O/c1-25(17-18-26-13-5-2-6-14-26)24(28)27-15-11-21(12-16-27)23-10-9-20-7-3-4-8-22(20)19-23/h3-4,7-10,19,21H,2,5-6,11-18H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264012
PNG
(4-(4-chlorophenyl)-N-methyl-N-(2-(piperidin-1-yl)e...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H29ClN4O/c1-21(11-12-22-9-3-2-4-10-22)19(25)24-15-13-23(14-16-24)18-7-5-17(20)6-8-18/h5-8H,2-4,9-16H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263898
PNG
(4-benzoyl-N-methyl-N-(2-(piperidin-1-yl)ethyl)pipe...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C21H31N3O2/c1-22(16-17-23-12-6-3-7-13-23)21(26)24-14-10-19(11-15-24)20(25)18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3
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n/an/a 237n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263948
PNG
(4-cyano-N-methyl-4-phenyl-N-(2-(piperidin-1-yl)eth...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)(C#N)c1ccccc1
Show InChI InChI=1S/C21H30N4O/c1-23(16-17-24-12-6-3-7-13-24)20(26)25-14-10-21(18-22,11-15-25)19-8-4-2-5-9-19/h2,4-5,8-9H,3,6-7,10-17H2,1H3
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n/an/a 267n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263952
PNG
(4-(3-chlorophenyl)-N-methyl-N-(2-(piperidin-1-yl)e...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C19H29ClN4O/c1-21(10-11-22-8-3-2-4-9-22)19(25)24-14-12-23(13-15-24)18-7-5-6-17(20)16-18/h5-7,16H,2-4,8-15H2,1H3
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n/an/a 297n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263845
PNG
(CHEMBL490195 | N-methyl-4-(naphthalen-1-yl)-N-(2-(...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H33N3O/c1-25(18-19-26-14-5-2-6-15-26)24(28)27-16-12-21(13-17-27)23-11-7-9-20-8-3-4-10-22(20)23/h3-4,7-11,21H,2,5-6,12-19H2,1H3
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n/an/a 343n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264065
PNG
(CHEMBL489973 | N-methyl-1-oxo-N-[2-(piperidin-1-yl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)Cc1ccccc1C(=O)O2
Show InChI InChI=1S/C22H31N3O3/c1-23(15-16-24-11-5-2-6-12-24)21(27)25-13-9-22(10-14-25)17-18-7-3-4-8-19(18)20(26)28-22/h3-4,7-8H,2,5-6,9-17H2,1H3
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n/an/a 380n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263322
PNG
(CHEMBL476963 | N-methyl-N-[2-(piperidin-1-yl)ethyl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OCc1ccccc21
Show InChI InChI=1S/C21H31N3O2/c1-22(15-16-23-11-5-2-6-12-23)20(25)24-13-9-21(10-14-24)19-8-4-3-7-18(19)17-26-21/h3-4,7-8H,2,5-6,9-17H2,1H3
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n/an/a 387n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263897
PNG
(4-benzyl-N-methyl-N-(2-(piperidin-1-yl)ethyl)piper...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H33N3O/c1-22(16-17-23-12-6-3-7-13-23)21(25)24-14-10-20(11-15-24)18-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
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n/an/a 393n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263950
PNG
(CHEMBL490612 | N-methyl-4-phenyl-N-(2-(piperidin-1...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H30N4O/c1-20(12-13-21-10-6-3-7-11-21)19(24)23-16-14-22(15-17-23)18-8-4-2-5-9-18/h2,4-5,8-9H,3,6-7,10-17H2,1H3
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n/an/a 506n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263899
PNG
(CHEMBL492030 | N-methyl-N-[2-(piperidin-1-yl)ethyl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(Cc3ccccc3C2)CC1
Show InChI InChI=1S/C22H33N3O/c1-23(15-16-24-11-5-2-6-12-24)21(26)25-13-9-22(10-14-25)17-19-7-3-4-8-20(19)18-22/h3-4,7-8H,2,5-6,9-18H2,1H3
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n/an/a 530n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264016
PNG
(CHEMBL490993 | N-methyl-4'-oxo-N-[2-(piperidin-1-y...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)c1ccccc1N2
Show InChI InChI=1S/C21H31N5O2/c1-24(15-16-25-11-5-2-6-12-25)20(28)26-13-9-21(10-14-26)22-18-8-4-3-7-17(18)19(27)23-21/h3-4,7-8,22H,2,5-6,9-16H2,1H3,(H,23,27)
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n/an/a 560n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263896
PNG
(CHEMBL501876 | N-methyl-N-(2-(piperidin-1-yl)ethyl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C18H27N3O/c1-19(13-14-20-10-5-2-6-11-20)18(22)21-12-9-16-7-3-4-8-17(16)15-21/h3-4,7-8H,2,5-6,9-15H2,1H3
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n/an/a 680n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264014
PNG
(3-Oxo-3,4-dihydro-2H-spiro[isoquinoline-1,4'-piper...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)Cc1ccccc21
Show InChI InChI=1S/C22H32N4O2/c1-24(15-16-25-11-5-2-6-12-25)21(28)26-13-9-22(10-14-26)19-8-4-3-7-18(19)17-20(27)23-22/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,23,27)
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n/an/a 783n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263846
PNG
(CHEMBL490400 | N-methyl-4-phenyl-N-(2-(piperidin-1...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C20H31N3O/c1-21(16-17-22-12-6-3-7-13-22)20(24)23-14-10-19(11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,19H,3,6-7,10-17H2,1H3
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n/an/a 893n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263949
PNG
(4-hydroxy-N-methyl-4-phenyl-N-(2-(piperidin-1-yl)e...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H31N3O2/c1-21(16-17-22-12-6-3-7-13-22)19(24)23-14-10-20(25,11-15-23)18-8-4-2-5-9-18/h2,4-5,8-9,25H,3,6-7,10-17H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264015
PNG
(CHEMBL523635 | N-methyl-2-oxo-N-[2-(piperidin-1-yl...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC2(CC1)OC(=O)Nc1ccccc21
Show InChI InChI=1S/C21H30N4O3/c1-23(15-16-24-11-5-2-6-12-24)20(27)25-13-9-21(10-14-25)17-7-3-4-8-18(17)22-19(26)28-21/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,22,26)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50264013
PNG
(4-tert-butyl-N-methyl-N-(2-(piperidin-1-yl)ethyl)p...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCC(CC1)C(C)(C)C
Show InChI InChI=1S/C18H35N3O/c1-18(2,3)16-8-12-21(13-9-16)17(22)19(4)14-15-20-10-6-5-7-11-20/h16H,5-15H2,1-4H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263951
PNG
(4-(2-chlorophenyl)-N-methyl-N-(2-(piperidin-1-yl)e...)
Show SMILES CN(CCN1CCCCC1)C(=O)N1CCN(CC1)c1ccccc1Cl
Show InChI InChI=1S/C19H29ClN4O/c1-21(11-12-22-9-5-2-6-10-22)19(25)24-15-13-23(14-16-24)18-8-4-3-7-17(18)20/h3-4,7-8H,2,5-6,9-16H2,1H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50263324
PNG
(CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50263324
PNG
(CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50263323
PNG
(CHEMBL514217 | trans-3'-Oxo-3'H-spiro[cyclohexane-...)
Show SMILES CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
Show InChI InChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3/t17-,22-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50263323
PNG
(CHEMBL514217 | trans-3'-Oxo-3'H-spiro[cyclohexane-...)
Show SMILES CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
Show InChI InChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3/t17-,22-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50263323
PNG
(CHEMBL514217 | trans-3'-Oxo-3'H-spiro[cyclohexane-...)
Show SMILES CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
Show InChI InChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3/t17-,22-
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50263324
PNG
(CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50263323
PNG
(CHEMBL514217 | trans-3'-Oxo-3'H-spiro[cyclohexane-...)
Show SMILES CN(CCN1CCCCC1)C(=O)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21 |r,wU:15.19,wD:12.12,(3.45,4.02,;2.11,3.26,;2.11,1.72,;3.44,.94,;3.44,-.6,;2.1,-1.35,;2.09,-2.88,;3.42,-3.67,;4.76,-2.9,;4.77,-1.36,;.78,4.03,;.79,5.57,;-.55,3.27,;-1.88,4.04,;-3.21,3.27,;-3.21,1.73,;-1.88,.96,;-.55,1.73,;-3.14,.18,;-4.58,-.37,;-4.98,-1.85,;-5.55,.84,;-7.09,.92,;-7.79,2.29,;-6.94,3.6,;-5.4,3.51,;-4.7,2.13,)|
Show InChI InChI=1S/C22H30N2O3/c1-23(15-16-24-13-5-2-6-14-24)20(25)17-9-11-22(12-10-17)19-8-4-3-7-18(19)21(26)27-22/h3-4,7-8,17H,2,5-6,9-16H2,1H3/t17-,22-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50263324
PNG
(CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...)
Show SMILES COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1 |r,wU:11.11,wD:14.19,(9.71,4.04,;10.41,2.67,;11.95,2.59,;12.79,3.89,;14.34,3.8,;15.03,2.43,;14.18,1.13,;12.64,1.22,;15.15,-.07,;14.75,-1.56,;16.6,.48,;16.52,2.02,;16.52,3.56,;17.85,4.34,;19.18,3.56,;19.18,2.02,;17.85,1.26,;20.51,4.33,;20.52,5.87,;21.85,3.55,;23.18,4.32,;21.84,2.01,;23.17,1.24,;23.17,-.3,;21.83,-1.06,;21.82,-2.59,;23.15,-3.37,;24.49,-2.61,;24.5,-1.06,)|
Show InChI InChI=1S/C23H32N2O4/c1-24(14-15-25-12-4-3-5-13-25)21(26)17-8-10-23(11-9-17)20-7-6-18(28-2)16-19(20)22(27)29-23/h6-7,16-17H,3-5,8-15H2,1-2H3/t17-,23-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5101-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.125
BindingDB Entry DOI: 10.7270/Q2PC3268
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%