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Compile Data Set for Download or QSAR

Found 22 hits of ec50 for UniProtKB: Q9QYN8   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50408756
PNG
(CHEMBL2145444)
Show SMILES CC(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C11H20N2O/c1-10(2)5-7-14-6-3-4-11-8-12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
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n/an/an/an/a 0.220n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50408755
PNG
(CHEMBL2145442)
Show SMILES CC(C)CCCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-11(2)5-3-7-15-8-4-6-12-9-13-10-14-12/h9-11H,3-8H2,1-2H3,(H,13,14)
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n/an/an/an/a 0.25n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118156
PNG
(4-[3-(3,3-Dimethyl-butoxy)-propyl]-1H-imidazole | ...)
Show SMILES CC(C)(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)6-8-15-7-4-5-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
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n/an/an/an/a 0.550n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50224191
PNG
((R)-2-(1-(6-ethoxypyridazin-3-yl)-5-methyl-1H-pyra...)
Show SMILES CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
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n/an/an/an/a 0.740n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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n/an/an/an/a 1n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for agonistic effect on release of [3H]-histamine from rat brain cortical slices with L-[3H]-histidine at 0.3 microM


Bioorg Med Chem Lett 2: 1231-1234 (1992)


Article DOI: 10.1016/S0960-894X(00)80219-X
BindingDB Entry DOI: 10.7270/Q2J38SGF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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n/an/an/an/a 1n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro intrinsic activity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350021
PNG
(CHEMBL1813067)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]n1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350023
PNG
(CHEMBL1813065)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1cn[nH]c(=O)c1 |r|
Show InChI InChI=1S/C18H23N3O2/c1-14-4-2-9-21(14)10-3-11-23-17-7-5-15(6-8-17)16-12-18(22)20-19-13-16/h5-8,12-14H,2-4,9-11H2,1H3,(H,20,22)/t14-/m1/s1
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n/an/an/an/a 2.10n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1 |r|
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


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


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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n/an/an/an/a 2.80n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro binding affinity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50224189
PNG
((R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc(nc1C)N1CCCC1
Show InChI InChI=1S/C25H31N5/c1-18-6-5-14-29(18)15-11-20-7-9-23-21(16-20)8-10-24(28-23)22-17-26-25(27-19(22)2)30-12-3-4-13-30/h7-10,16-18H,3-6,11-15H2,1-2H3/t18-/m1/s1
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n/an/an/an/a 3.02n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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n/an/an/an/a 3.63n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50280120
PNG
((R)-2-(1H-Imidazol-4-yl)-propylamine; hydrobromide...)
Show SMILES C[C@H](CN)c1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for agonistic effect on release of [3H]-histamine from rat brain cortical slices with L-[3H]-histidine at 0.3 microM


Bioorg Med Chem Lett 2: 1231-1234 (1992)


Article DOI: 10.1016/S0960-894X(00)80219-X
BindingDB Entry DOI: 10.7270/Q2J38SGF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50224192
PNG
((R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnc2cc(C)nn2c1C
Show InChI InChI=1S/C24H27N5/c1-16-13-24-25-15-21(18(3)29(24)27-16)23-9-7-20-14-19(6-8-22(20)26-23)10-12-28-11-4-5-17(28)2/h6-9,13-15,17H,4-5,10-12H2,1-3H3/t17-/m1/s1
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n/an/an/an/a 5.01n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50224190
PNG
((R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn(C)nc1C
Show InChI InChI=1S/C21H26N4/c1-15-5-4-11-25(15)12-10-17-6-8-20-18(13-17)7-9-21(22-20)19-14-24(3)23-16(19)2/h6-9,13-15H,4-5,10-12H2,1-3H3/t15-/m1/s1
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n/an/an/an/a 5.75n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50224188
PNG
((R)-2-methyl-3-(6-(2-(2-methylpyrrolidin-1-yl)ethy...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cc2cccnc2nc1C
Show InChI InChI=1S/C25H26N4/c1-17-5-4-13-29(17)14-11-19-7-9-23-20(15-19)8-10-24(28-23)22-16-21-6-3-12-26-25(21)27-18(22)2/h3,6-10,12,15-17H,4-5,11,13-14H2,1-2H3/t17-/m1/s1
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n/an/an/an/a 7.24n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50280119
PNG
(2-[2-(1H-Imidazol-4-yl)-ethyl]-1-methyl-isothioure...)
Show SMILES CN=C(N)SCCc1cnc[nH]1 |w:1.0|
Show InChI InChI=1S/C7H12N4S/c1-9-7(8)12-3-2-6-4-10-5-11-6/h4-5H,2-3H2,1H3,(H2,8,9)(H,10,11)
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n/an/an/an/a 15n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was evaluated for agonistic effect on release of [3H]-histamine from rat brain cortical slices with L-[3H]-histidine at 0.3 microM


Bioorg Med Chem Lett 2: 1231-1234 (1992)


Article DOI: 10.1016/S0960-894X(00)80219-X
BindingDB Entry DOI: 10.7270/Q2J38SGF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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n/an/an/an/a 17.4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50327477
PNG
((R)-2-(cyclopropylmethyl)-8-(1-isopropylpiperidin-...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3C[C@@H](C)N(CC4CC4)C(=O)c3cc2c1 |r|
Show InChI InChI=1S/C24H33N3O2/c1-16(2)25-10-8-20(9-11-25)29-21-6-7-22-19(12-21)13-23-24(28)26(15-18-4-5-18)17(3)14-27(22)23/h6-7,12-13,16-18,20H,4-5,8-11,14-15H2,1-3H3/t17-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50118156
PNG
(4-[3-(3,3-Dimethyl-butoxy)-propyl]-1H-imidazole | ...)
Show SMILES CC(C)(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C12H22N2O/c1-12(2,3)6-8-15-7-4-5-11-9-13-10-14-11/h9-10H,4-8H2,1-3H3,(H,13,14)
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n/an/an/an/a 45n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro binding affinity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 62n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for antagonistic effect on release of [3H]-histamine from rat brain cortical slices with L-[3H]-histidine at 0.3 microM


Bioorg Med Chem Lett 2: 1231-1234 (1992)


Article DOI: 10.1016/S0960-894X(00)80219-X
BindingDB Entry DOI: 10.7270/Q2J38SGF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50408756
PNG
(CHEMBL2145444)
Show SMILES CC(C)CCOCCCc1cnc[nH]1
Show InChI InChI=1S/C11H20N2O/c1-10(2)5-7-14-6-3-4-11-8-12-9-13-11/h8-10H,3-7H2,1-2H3,(H,12,13)
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UniChem

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PubMed
n/an/an/an/a 128n/an/an/an/a



Freie Universität Berlin

Curated by ChEMBL


Assay Description
In vitro binding affinity against histamine H3 receptor from synaptosomes of rat cerebral cortex


J Med Chem 42: 4269-74 (1999)


BindingDB Entry DOI: 10.7270/Q2B85799
More data for this
Ligand-Target Pair