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Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'santhakumar' and Initial = 'v'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496270
PNG
(CHEMBL3127679)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1
Show InChI InChI=1S/C21H37N3O2/c1-17(2)22-9-11-24(12-10-22)20(25)18-15-21(16-18)5-7-23(8-6-21)19-3-13-26-14-4-19/h17-19H,3-16H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496289
PNG
(CHEMBL3124968)
Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC11CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496273
PNG
(CHEMBL3127700)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C21H35N3O2/c25-20(24-12-10-23(11-13-24)17-2-1-3-17)19-16-21(19)6-8-22(9-7-21)18-4-14-26-15-5-18/h17-19H,1-16H2
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1.30n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496272
PNG
(CHEMBL3127701)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C22H37N3O2/c26-21(25-13-11-24(12-14-25)18-3-1-2-4-18)20-17-22(20)7-9-23(10-8-22)19-5-15-27-16-6-19/h18-20H,1-17H2
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1.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496296
PNG
(CHEMBL3127704)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C22H37N3O2/c26-21(25-10-2-9-23(13-14-25)18-3-1-4-18)20-17-22(20)7-11-24(12-8-22)19-5-15-27-16-6-19/h18-20H,1-17H2
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3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496281
PNG
(CHEMBL3127698)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CC11CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3
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3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50180955
PNG
(CHEMBL3818617)
Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
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8n/an/an/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKK...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496290
PNG
(CHEMBL3127705)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H32N4O2/c27-21(26-13-11-25(12-14-26)18-1-7-23-8-2-18)20-17-22(20)5-9-24(10-6-22)19-3-15-28-16-4-19/h1-2,7-8,19-20H,3-6,9-17H2
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8.40n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496297
PNG
(CHEMBL3127699)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C20H33N3O2/c24-19(23-11-9-22(10-12-23)16-1-2-16)18-15-20(18)5-7-21(8-6-20)17-3-13-25-14-4-17/h16-18H,1-15H2
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11n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496259
PNG
(CHEMBL3127672)
Show SMILES CC(C)N1CCN(CC1)C(=O)[C@@H]1CC11CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m0/s1
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16n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496295
PNG
(CHEMBL3127708)
Show SMILES O=C(C1CC11CCN(CC1)C1CCCCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C24H41N3O/c28-23(27-17-15-26(16-18-27)21-9-5-2-6-10-21)22-19-24(22)11-13-25(14-12-24)20-7-3-1-4-8-20/h20-22H,1-19H2
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19n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496276
PNG
(CHEMBL3127670)
Show SMILES O=C(C1CC11CCN(CCc2ccccc2)CC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H39N3O/c30-25(29-19-17-28(18-20-29)23-9-5-2-6-10-23)24-21-26(24)12-15-27(16-13-26)14-11-22-7-3-1-4-8-22/h1,3-4,7-8,23-24H,2,5-6,9-21H2
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21n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496280
PNG
(CHEMBL3127702)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H39N3O2/c27-22(26-14-12-25(13-15-26)19-4-2-1-3-5-19)21-18-23(21)8-10-24(11-9-23)20-6-16-28-17-7-20/h19-21H,1-18H2
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26n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50180955
PNG
(CHEMBL3818617)
Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO
Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1
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28n/an/an/an/an/an/an/an/a



Bayer Pharma AG

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKK...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496263
PNG
(CHEMBL3127709)
Show SMILES CC(C)N1CCC2(CC2C(=O)N2CCN(CC2)C2CCCCC2)CC1
Show InChI InChI=1S/C21H37N3O/c1-17(2)22-10-8-21(9-11-22)16-19(21)20(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h17-19H,3-16H2,1-2H3
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47n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496275
PNG
(CHEMBL3127671)
Show SMILES O=C(C1CC11CCN(CC1)c1ccncc1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H34N4O/c28-22(27-16-14-26(15-17-27)19-4-2-1-3-5-19)21-18-23(21)8-12-25(13-9-23)20-6-10-24-11-7-20/h6-7,10-11,19,21H,1-5,8-9,12-18H2
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55n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496279
PNG
(CHEMBL3127703)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C24H41N3O2/c28-23(27-15-13-26(14-16-27)20-5-3-1-2-4-6-20)22-19-24(22)9-11-25(12-10-24)21-7-17-29-18-8-21/h20-22H,1-19H2
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65n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496278
PNG
(CHEMBL3127706)
Show SMILES O=C(C1CC11CCN(CC1)C1CCC1)N1CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C21H35N3O2/c25-20(24-12-10-23(11-13-24)18-4-14-26-15-5-18)19-16-21(19)6-8-22(9-7-21)17-2-1-3-17/h17-19H,1-16H2
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67n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496261
PNG
(CHEMBL3127680)
Show SMILES CC(C)N1CCN(CC1)C(=O)N1CC2(C1)CCN(CC2)C1CCOCC1
Show InChI InChI=1S/C20H36N4O2/c1-17(2)21-9-11-23(12-10-21)19(25)24-15-20(16-24)5-7-22(8-6-20)18-3-13-26-14-4-18/h17-18H,3-16H2,1-2H3
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97n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496287
PNG
(CHEMBL3127669)
Show SMILES O=C(C1CC11CCN(Cc2ccccc2)CC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C25H37N3O/c29-24(28-17-15-27(16-18-28)22-9-5-2-6-10-22)23-19-25(23)11-13-26(14-12-25)20-21-7-3-1-4-8-21/h1,3-4,7-8,22-23H,2,5-6,9-20H2
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103n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496277
PNG
(CHEMBL3127707)
Show SMILES O=C(C1CC11CCNCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C18H31N3O/c22-17(16-14-18(16)6-8-19-9-7-18)21-12-10-20(11-13-21)15-4-2-1-3-5-15/h15-16,19H,1-14H2
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439n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496291
PNG
(CHEMBL3127697)
Show SMILES CN1CCN(CC1)C(=O)C1CC11CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C18H31N3O2/c1-19-8-10-21(11-9-19)17(22)16-14-18(16)4-6-20(7-5-18)15-2-12-23-13-3-15/h15-16H,2-14H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496301
PNG
(CHEMBL3127668)
Show SMILES O=C(C1CC11CCN(CC1)c1ccccc1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C24H35N3O/c28-23(27-17-15-26(16-18-27)21-9-5-2-6-10-21)22-19-24(22)11-13-25(14-12-24)20-7-3-1-4-8-20/h1,3-4,7-8,21-22H,2,5-6,9-19H2
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1.67E+3n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496274
PNG
(CHEMBL3127673)
Show SMILES O=C(C1CC11CCC(CC1)C1CCCCC1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C23H38N2O/c26-22(25-15-13-24(14-16-25)20-7-4-8-20)21-17-23(21)11-9-19(10-12-23)18-5-2-1-3-6-18/h18-21H,1-17H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496294
PNG
(CHEMBL3127674)
Show SMILES O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C23H39N3O2/c27-22(26-10-2-9-24(13-14-26)20-3-1-4-20)19-17-23(18-19)7-11-25(12-8-23)21-5-15-28-16-6-21/h19-21H,1-18H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496293
PNG
(CHEMBL3127676)
Show SMILES O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C24H41N3O2/c28-23(27-14-12-26(13-15-27)21-4-2-1-3-5-21)20-18-24(19-20)8-10-25(11-9-24)22-6-16-29-17-7-22/h20-22H,1-19H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496270
PNG
(CHEMBL3127679)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1
Show InChI InChI=1S/C21H37N3O2/c1-17(2)22-9-11-24(12-10-22)20(25)18-15-21(16-18)5-7-23(8-6-21)19-3-13-26-14-4-19/h17-19H,3-16H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496299
PNG
(CHEMBL3127675)
Show SMILES O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C22H37N3O2/c26-21(25-12-10-24(11-13-25)19-2-1-3-19)18-16-22(17-18)6-8-23(9-7-22)20-4-14-27-15-5-20/h18-20H,1-17H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496284
PNG
(CHEMBL3127691)
Show SMILES O=C(N1CCC2(C1)CCN(CC2)S(=O)(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C24H36N4O3S/c29-23(26-14-5-13-25(18-19-26)21-6-4-7-21)27-15-10-24(20-27)11-16-28(17-12-24)32(30,31)22-8-2-1-3-9-22/h1-3,8-9,21H,4-7,10-20H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496281
PNG
(CHEMBL3127698)
Show SMILES CC(C)N1CCN(CC1)C(=O)C1CC11CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496264
PNG
(CHEMBL3127692)
Show SMILES CC(C)S(=O)(=O)N1CCC2(CCN(C2)C(=O)N2CCCN(CC2)C2CCC2)CC1
Show InChI InChI=1S/C21H38N4O3S/c1-18(2)29(27,28)25-13-8-21(9-14-25)7-12-24(17-21)20(26)23-11-4-10-22(15-16-23)19-5-3-6-19/h18-19H,3-17H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496273
PNG
(CHEMBL3127700)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C21H35N3O2/c25-20(24-12-10-23(11-13-24)17-2-1-3-17)19-16-21(19)6-8-22(9-7-21)18-4-14-26-15-5-18/h17-19H,1-16H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496265
PNG
(CHEMBL3127690)
Show SMILES O=C(N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C25H36N4O2/c30-23(21-6-2-1-3-7-21)27-15-10-25(11-16-27)12-17-29(20-25)24(31)28-14-5-13-26(18-19-28)22-8-4-9-22/h1-3,6-7,22H,4-5,8-20H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496285
PNG
(CHEMBL3127688)
Show SMILES O=C(N1CCC2(C1)CCCN(C2)C(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C25H36N4O2/c30-23(21-7-2-1-3-8-21)28-13-5-11-25(19-28)12-16-29(20-25)24(31)27-15-6-14-26(17-18-27)22-9-4-10-22/h1-3,7-8,22H,4-6,9-20H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496260
PNG
(CHEMBL3127681)
Show SMILES O=C(N1CCC2(C1)CCCN(C2)C1CCOCC1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C23H40N4O2/c28-22(25-12-3-11-24(14-15-25)20-4-1-5-20)27-13-9-23(19-27)8-2-10-26(18-23)21-6-16-29-17-7-21/h20-21H,1-19H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496271
PNG
(CHEMBL3127677)
Show SMILES O=C(C1CC2(C1)CCN(CC2)C1CCOCC1)N1CCN2CCCCC2C1
Show InChI InChI=1S/C22H37N3O2/c26-21(25-12-11-23-8-2-1-3-20(23)17-25)18-15-22(16-18)6-9-24(10-7-22)19-4-13-27-14-5-19/h18-20H,1-17H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496266
PNG
(CHEMBL3127689)
Show SMILES O=C(N1CCC2(C1)CCCN(C2)S(=O)(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
Show InChI InChI=1S/C24H36N4O3S/c29-23(26-14-6-13-25(17-18-26)21-7-4-8-21)27-16-12-24(19-27)11-5-15-28(20-24)32(30,31)22-9-2-1-3-10-22/h1-3,9-10,21H,4-8,11-20H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496289
PNG
(CHEMBL3124968)
Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC11CCN(CC1)C1CCOCC1
Show InChI InChI=1S/C20H35N3O2/c1-16(2)21-9-11-23(12-10-21)19(24)18-15-20(18)5-7-22(8-6-20)17-3-13-25-14-4-17/h16-18H,3-15H2,1-2H3/t18-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496272
PNG
(CHEMBL3127701)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C22H37N3O2/c26-21(25-13-11-24(12-14-25)18-3-1-2-4-18)20-17-22(20)7-9-23(10-8-22)19-5-15-27-16-6-19/h18-20H,1-17H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
TGF-beta receptor type-1


(Homo sapiens (Human))
BDBM50151363
PNG
(4-(3-Chloro-phenyl)-5-[1,5]naphthyridin-2-yl-thiaz...)
Show SMILES Nc1nc(c(s1)-c1ccc2ncccc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of TGFbeta-induced ALK5 in human HepG2 cells pretreated for 30 mins followed by TGFbeta stimulation measured after overnight incubation by...


Bioorg Med Chem 25: 1672-1680 (2017)


BindingDB Entry DOI: 10.7270/Q2PV6NXP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496295
PNG
(CHEMBL3127708)
Show SMILES O=C(C1CC11CCN(CC1)C1CCCCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C24H41N3O/c28-23(27-17-15-26(16-18-27)21-9-5-2-6-10-21)22-19-24(22)11-13-25(14-12-24)20-7-3-1-4-8-20/h20-22H,1-19H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Proteinase-activated receptor 1


(Homo sapiens (Human))
BDBM50181506
PNG
(CHEMBL3819038)
Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCc1cccc(Cl)c1)=N/C#N)C(=O)CO
Show InChI InChI=1S/C23H24Cl2N6O2/c1-2-30(21(33)14-32)20-13-31(29-22(20)17-6-8-18(24)9-7-17)23(28-15-26)27-11-10-16-4-3-5-19(25)12-16/h3-9,12,20,32H,2,10-11,13-14H2,1H3,(H,27,28)
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Bayer Pharma AG

Curated by ChEMBL


Assay Description
Antagonist activity at PAR1 (unknown origin)


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496286
PNG
(CHEMBL3127684)
Show SMILES CS(=O)(=O)N1CCC2(CC(C2)C(=O)N2CCN(CC2)C2CCC2)CC1
Show InChI InChI=1S/C18H31N3O3S/c1-25(23,24)21-7-5-18(6-8-21)13-15(14-18)17(22)20-11-9-19(10-12-20)16-3-2-4-16/h15-16H,2-14H2,1H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496280
PNG
(CHEMBL3127702)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H39N3O2/c27-22(26-14-12-25(13-15-26)19-4-2-1-3-5-19)21-18-23(21)8-10-24(11-9-23)20-6-16-28-17-7-20/h19-21H,1-18H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496288
PNG
(CHEMBL3127687)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C(=O)c1ccccc1
Show InChI InChI=1S/C24H35N3O2/c1-19(2)25-11-6-12-26(16-15-25)23(29)21-17-24(18-21)9-13-27(14-10-24)22(28)20-7-4-3-5-8-20/h3-5,7-8,19,21H,6,9-18H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496300
PNG
(CHEMBL3127693)
Show SMILES O=C(N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCN(CC1)C1CCC1
Show InChI InChI=1S/C24H34N4O2/c29-22(20-5-2-1-3-6-20)26-12-9-24(10-13-26)11-14-28(19-24)23(30)27-17-15-25(16-18-27)21-7-4-8-21/h1-3,5-6,21H,4,7-19H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Mas-related G-protein coupled receptor member X1


(Homo sapiens (Human))
BDBM50340753
PNG
(2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)pip...)
Show SMILES Clc1ccc(CCNc2nccc(n2)N2CCN(CC(=O)N(CCCN3CCOCC3)Cc3c(Cl)cncc3Cl)CC2)cc1
Show InChI InChI=1S/C31H39Cl3N8O2/c32-25-4-2-24(3-5-25)6-8-36-31-37-9-7-29(38-31)41-14-12-40(13-15-41)23-30(43)42(11-1-10-39-16-18-44-19-17-39)22-26-27(33)20-35-21-28(26)34/h2-5,7,9,20-21H,1,6,8,10-19,22-23H2,(H,36,37,38)
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AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Antagonist activity at SNSR4 in human HEK293 cells by FLIPR assay


Bioorg Med Chem Lett 21: 2102-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.138
BindingDB Entry DOI: 10.7270/Q2D21XW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496292
PNG
(CHEMBL3127678)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C1CCOCC1
Show InChI InChI=1S/C22H39N3O2/c1-18(2)23-8-3-9-25(13-12-23)21(26)19-16-22(17-19)6-10-24(11-7-22)20-4-14-27-15-5-20/h18-20H,3-17H2,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
N-lysine methyltransferase SMYD2


(Homo sapiens (Human))
BDBM50075102
PNG
(CHEMBL3414623)
Show SMILES Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Show InChI InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43)
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Bayer Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mi...


J Med Chem 59: 4578-600 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01890
BindingDB Entry DOI: 10.7270/Q2RN39S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496276
PNG
(CHEMBL3127670)
Show SMILES O=C(C1CC11CCN(CCc2ccccc2)CC1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C26H39N3O/c30-25(29-19-17-28(18-20-29)23-9-5-2-6-10-23)24-21-26(24)12-15-27(16-13-26)14-11-22-7-3-1-4-8-22/h1,3-4,7-8,23-24H,2,5-6,9-21H2
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AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
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