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PubMed code 11958998

Compile data set for download or QSAR
Found 22 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
HRH3


(GUINEA PIG)
BDBM50112009
PNG
(1-(2,6-Dichloro-pyridin-4-yl)-3-[4-(1H-imidazol-4-...)
Show SMILES Clc1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(Cl)n1
Show InChI InChI=1S/C17H15Cl2N5O/c18-15-6-13(7-16(19)24-15)23-17(25)21-8-12-3-1-11(2-4-12)5-14-9-20-10-22-14/h1-4,6-7,9-10H,5,8H2,(H,20,22)(H2,21,23,24,25)
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3n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM86188
PNG
(CHEMBL366977 | SCH 79687)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16Cl2N4O/c19-14-6-15(20)8-16(7-14)24-18(25)22-9-13-3-1-12(2-4-13)5-17-10-21-11-23-17/h1-4,6-8,10-11H,5,9H2,(H,21,23)(H2,22,24,25)
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4n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112025
PNG
((3,5-Dichloro-phenyl)-carbamic acid 4-(1H-imidazol...)
Show SMILES Clc1cc(Cl)cc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H15Cl2N3O2/c19-14-6-15(20)8-16(7-14)23-18(24)25-10-13-3-1-12(2-4-13)5-17-9-21-11-22-17/h1-4,6-9,11H,5,10H2,(H,21,22)(H,23,24)
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5n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112024
PNG
(1-(3-Cyano-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-b...)
Show SMILES O=C(NCc1ccc(Cc2cnc[nH]2)cc1)Nc1cccc(c1)C#N
Show InChI InChI=1S/C19H17N5O/c20-10-16-2-1-3-17(9-16)24-19(25)22-11-15-6-4-14(5-7-15)8-18-12-21-13-23-18/h1-7,9,12-13H,8,11H2,(H,21,23)(H2,22,24,25)
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5n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112012
PNG
(1-(3-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...)
Show SMILES Clc1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H17ClN4O/c19-15-2-1-3-16(9-15)23-18(24)21-10-14-6-4-13(5-7-14)8-17-11-20-12-22-17/h1-7,9,11-12H,8,10H2,(H,20,22)(H2,21,23,24)
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6n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112021
PNG
(1-(3,4-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES Clc1ccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc1Cl
Show InChI InChI=1S/C18H16Cl2N4O/c19-16-6-5-14(8-17(16)20)24-18(25)22-9-13-3-1-12(2-4-13)7-15-10-21-11-23-15/h1-6,8,10-11H,7,9H2,(H,21,23)(H2,22,24,25)
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7n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112011
PNG
((3-Chloro-phenyl)-carbamic acid 4-(1H-imidazol-4-y...)
Show SMILES Clc1cccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-2-1-3-16(9-15)22-18(23)24-11-14-6-4-13(5-7-14)8-17-10-20-12-21-17/h1-7,9-10,12H,8,11H2,(H,20,21)(H,22,23)
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7n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112020
PNG
(1-(3,5-Dimethyl-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES Cc1cc(C)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C20H22N4O/c1-14-7-15(2)9-18(8-14)24-20(25)22-11-17-5-3-16(4-6-17)10-19-12-21-13-23-19/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H2,22,24,25)
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9n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112028
PNG
(1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-trifluo...)
Show SMILES FC(F)(F)c1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)15-2-1-3-16(9-15)26-18(27)24-10-14-6-4-13(5-7-14)8-17-11-23-12-25-17/h1-7,9,11-12H,8,10H2,(H,23,25)(H2,24,26,27)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50071492
PNG
(CHEMBL312341 | N-(4-Chloro-benzyl)-4-(1H-imidazol-...)
Show SMILES NC(=NCc1ccc(Cl)cc1)c1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C18H17ClN4/c19-16-7-3-14(4-8-16)10-22-18(20)15-5-1-13(2-6-15)9-17-11-21-12-23-17/h1-8,11-12H,9-10H2,(H2,20,22)(H,21,23)
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112013
PNG
((3,4-Dichloro-phenyl)-carbamic acid 4-(1H-imidazol...)
Show SMILES Clc1ccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)cc1Cl
Show InChI InChI=1S/C18H15Cl2N3O2/c19-16-6-5-14(8-17(16)20)23-18(24)25-10-13-3-1-12(2-4-13)7-15-9-21-11-22-15/h1-6,8-9,11H,7,10H2,(H,21,22)(H,23,24)
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18n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112010
PNG
(1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-(3-methoxy...)
Show SMILES COc1cccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C19H20N4O2/c1-25-18-4-2-3-16(10-18)23-19(24)21-11-15-7-5-14(6-8-15)9-17-12-20-13-22-17/h2-8,10,12-13H,9,11H2,1H3,(H,20,22)(H2,21,23,24)
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18n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112019
PNG
(1-(4-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...)
Show SMILES Clc1ccc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C18H17ClN4O/c19-15-5-7-16(8-6-15)23-18(24)21-10-14-3-1-13(2-4-14)9-17-11-20-12-22-17/h1-8,11-12H,9-10H2,(H,20,22)(H2,21,23,24)
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21n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112017
PNG
(1-(3,5-Bis-trifluoromethyl-phenyl)-3-[4-(1H-imidaz...)
Show SMILES FC(F)(F)c1cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F6N4O/c21-19(22,23)14-6-15(20(24,25)26)8-16(7-14)30-18(31)28-9-13-3-1-12(2-4-13)5-17-10-27-11-29-17/h1-4,6-8,10-11H,5,9H2,(H,27,29)(H2,28,30,31)
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22n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112016
PNG
((4-Chloro-phenyl)-carbamic acid 4-(1H-imidazol-4-y...)
Show SMILES Clc1ccc(NC(=O)OCc2ccc(Cc3cnc[nH]3)cc2)cc1
Show InChI InChI=1S/C18H16ClN3O2/c19-15-5-7-16(8-6-15)22-18(23)24-11-14-3-1-13(2-4-14)9-17-10-20-12-21-17/h1-8,10,12H,9,11H2,(H,20,21)(H,22,23)
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25n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112008
PNG
(1-(2-Chloro-phenyl)-3-[4-(1H-imidazol-4-ylmethyl)-...)
Show SMILES Clc1ccccc1NC(=O)NCc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C18H17ClN4O/c19-16-3-1-2-4-17(16)23-18(24)21-10-14-7-5-13(6-8-14)9-15-11-20-12-22-15/h1-8,11-12H,9-10H2,(H,20,22)(H2,21,23,24)
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32n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112027
PNG
(CHEMBL172610 | Phenyl-carbamic acid 4-(1H-imidazol...)
Show SMILES O=C(Nc1ccccc1)OCc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C18H17N3O2/c22-18(21-16-4-2-1-3-5-16)23-12-15-8-6-14(7-9-15)10-17-11-19-13-20-17/h1-9,11,13H,10,12H2,(H,19,20)(H,21,22)
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37n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112026
PNG
(1-(3,5-Bis-trifluoromethyl-benzyl)-3-[4-(1H-imidaz...)
Show SMILES FC(F)(F)c1cc(CNC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H18F6N4O/c22-20(23,24)16-5-15(6-17(8-16)21(25,26)27)10-30-19(32)29-9-14-3-1-13(2-4-14)7-18-11-28-12-31-18/h1-6,8,11-12H,7,9-10H2,(H,28,31)(H2,29,30,32)
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90n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112023
PNG
(1-(3,5-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(Cc3cnc[nH]3)cc2)c1
Show InChI InChI=1S/C17H14Cl2N4O/c18-12-6-13(19)8-15(7-12)23-17(24)22-14-3-1-11(2-4-14)5-16-9-20-10-21-16/h1-4,6-10H,5H2,(H,20,21)(H2,22,23,24)
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120n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112022
PNG
(1-[4-(1H-Imidazol-4-ylmethyl)-benzyl]-3-pyridin-3-...)
Show SMILES O=C(NCc1ccc(Cc2cnc[nH]2)cc1)Nc1cccnc1
Show InChI InChI=1S/C17H17N5O/c23-17(22-15-2-1-7-18-10-15)20-9-14-5-3-13(4-6-14)8-16-11-19-12-21-16/h1-7,10-12H,8-9H2,(H,19,21)(H2,20,22,23)
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270n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112014
PNG
(1-(3,5-Dichloro-phenyl)-3-[4-(1H-imidazol-4-ylmeth...)
Show SMILES CN(Cc1ccc(Cc2cnc[nH]2)cc1)C(=O)N(C)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C20H20Cl2N4O/c1-25(20(27)26(2)19-9-16(21)8-17(22)10-19)12-15-5-3-14(4-6-15)7-18-11-23-13-24-18/h3-6,8-11,13H,7,12H2,1-2H3,(H,23,24)
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370n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50112015
PNG
(1-[2-(2-Chloro-phenyl)-ethyl]-3-[4-(1H-imidazol-4-...)
Show SMILES Clc1ccccc1CCNC(=O)NCc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C20H21ClN4O/c21-19-4-2-1-3-17(19)9-10-23-20(26)24-12-16-7-5-15(6-8-16)11-18-13-22-14-25-18/h1-8,13-14H,9-12H2,(H,22,25)(H2,23,24,26)
UniProtKB/SwissProt

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CHEMBL
PC cid
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UniChem
Article
PubMed
430n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane


Bioorg Med Chem Lett 12: 937-41 (2002)


Article DOI: 10.1016/s0960-894x(02)00055-0
BindingDB Entry DOI: 10.7270/Q2W37VN7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%