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Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50016874   
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))
BDBM50174619
PNG
(CHEMBL197747 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-3-2-9-23(14)10-8-18-12-15-11-16(4-6-19(15)27-18)22-20-7-5-17(13-21-20)24(25)26/h4-7,11-14H,2-3,8-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174627
PNG
(CHEMBL199245 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174621
PNG
(CHEMBL196467 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cnccn3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-9-23(14)10-6-17-12-15-11-16(4-5-18(15)24-17)22-19-13-20-7-8-21-19/h4-5,7-8,11-14H,2-3,6,9-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174619
PNG
(CHEMBL197747 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-3-2-9-23(14)10-8-18-12-15-11-16(4-6-19(15)27-18)22-20-7-5-17(13-21-20)24(25)26/h4-7,11-14H,2-3,8-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174613
PNG
(4-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(nc(c3)C#N)C#N)ccc2o1
Show InChI InChI=1S/C23H23N5O/c1-16-3-2-7-28(16)8-6-22-10-18-9-17(4-5-23(18)29-22)15-26-19-11-20(13-24)27-21(12-19)14-25/h4-5,9-12,16H,2-3,6-8,15H2,1H3,(H,26,27)/t16-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174637
PNG
(CHEMBL196294 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-4-3-10-23(14)11-8-17-13-15-12-16(6-7-19(15)27-17)22-20-18(24(25)26)5-2-9-21-20/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,21,22)/t14-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174615
PNG
(CHEMBL424842 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(s3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C19H22N4O3S/c1-13-3-2-7-22(13)8-6-16-10-15-9-14(4-5-17(15)26-16)11-20-19-21-12-18(27-19)23(24)25/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,20,21)/t13-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174620
PNG
(CHEMBL371258 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H23N3O3/c1-15-5-4-11-23(15)12-10-18-14-16-13-17(8-9-21(16)27-18)22-19-6-2-3-7-20(19)24(25)26/h2-3,6-9,13-15,22H,4-5,10-12H2,1H3/t15-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174614
PNG
(4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benz...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cc3)C#N)ccc2o1
Show InChI InChI=1S/C22H23N3O/c1-16-3-2-11-25(16)12-10-21-14-18-13-20(8-9-22(18)26-21)24-19-6-4-17(15-23)5-7-19/h4-9,13-14,16,24H,2-3,10-12H2,1H3/t16-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174627
PNG
(CHEMBL199245 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174634
PNG
(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benz...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cccc(c3)C#N)ccc2o1
Show InChI InChI=1S/C22H23N3O/c1-16-4-3-10-25(16)11-9-21-14-18-13-20(7-8-22(18)26-21)24-19-6-2-5-17(12-19)15-23/h2,5-8,12-14,16,24H,3-4,9-11H2,1H3/t16-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174624
PNG
(CHEMBL371210 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1
Show InChI InChI=1S/C20H24N4O/c1-15-3-2-9-24(15)10-6-18-12-17-11-16(4-5-19(17)25-18)13-23-20-14-21-7-8-22-20/h4-5,7-8,11-12,14-15H,2-3,6,9-10,13H2,1H3,(H,22,23)/t15-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174631
PNG
(CHEMBL196629 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H24N4O3/c1-15-3-2-9-24(15)10-8-19-12-17-11-16(4-6-20(17)28-19)13-22-21-7-5-18(14-23-21)25(26)27/h4-7,11-12,14-15H,2-3,8-10,13H2,1H3,(H,22,23)/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174636
PNG
(CHEMBL198703 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-4-2-10-23(14)11-7-17-13-15-12-16(5-6-18(15)24-17)22-19-20-8-3-9-21-19/h3,5-6,8-9,12-14H,2,4,7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174623
PNG
((6-Chloro-pyridazin-3-yl)-{2-[2-((R)-2-methyl-pyrr...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(Cl)nn3)ccc2o1
Show InChI InChI=1S/C20H23ClN4O/c1-14-3-2-9-25(14)10-8-17-12-16-11-15(4-5-18(16)26-17)13-22-20-7-6-19(21)23-24-20/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,22,24)/t14-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174629
PNG
(CHEMBL194620 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C22H25N3O3/c1-16-5-4-11-24(16)12-10-19-14-18-13-17(8-9-22(18)28-19)15-23-20-6-2-3-7-21(20)25(26)27/h2-3,6-9,13-14,16,23H,4-5,10-12,15H2,1H3/t16-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174625
PNG
((5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrro...)
Show SMILES CCc1cnc(NCc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1
Show InChI InChI=1S/C22H28N4O/c1-3-17-13-23-22(24-14-17)25-15-18-6-7-21-19(11-18)12-20(27-21)8-10-26-9-4-5-16(26)2/h6-7,11-14,16H,3-5,8-10,15H2,1-2H3,(H,23,24,25)/t16-/m1/s1
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0.330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174639
PNG
(6-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cn3)C#N)ccc2o1
Show InChI InChI=1S/C22H24N4O/c1-16-3-2-9-26(16)10-8-20-12-19-11-17(4-6-21(19)27-20)14-24-22-7-5-18(13-23)15-25-22/h4-7,11-12,15-16H,2-3,8-10,14H2,1H3,(H,24,25)/t16-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174637
PNG
(CHEMBL196294 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-4-3-10-23(14)11-8-17-13-15-12-16(6-7-19(15)27-17)22-20-18(24(25)26)5-2-9-21-20/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,21,22)/t14-/m1/s1
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0.350n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174621
PNG
(CHEMBL196467 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cnccn3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-9-23(14)10-6-17-12-15-11-16(4-5-18(15)24-17)22-19-13-20-7-8-21-19/h4-5,7-8,11-14H,2-3,6,9-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174612
PNG
(3-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cccc(c3)C#N)ccc2o1
Show InChI InChI=1S/C23H25N3O/c1-17-4-3-10-26(17)11-9-22-14-20-12-19(7-8-23(20)27-22)16-25-21-6-2-5-18(13-21)15-24/h2,5-8,12-14,17,25H,3-4,9-11,16H2,1H3/t17-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174613
PNG
(4-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(nc(c3)C#N)C#N)ccc2o1
Show InChI InChI=1S/C23H23N5O/c1-16-3-2-7-28(16)8-6-22-10-18-9-17(4-5-23(18)29-22)15-26-19-11-20(13-24)27-21(12-19)14-25/h4-5,9-12,16H,2-3,6-8,15H2,1H3,(H,26,27)/t16-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174640
PNG
(CHEMBL199187 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H24N4O3/c1-15-4-3-10-24(15)11-8-18-13-17-12-16(6-7-20(17)28-18)14-23-21-19(25(26)27)5-2-9-22-21/h2,5-7,9,12-13,15H,3-4,8,10-11,14H2,1H3,(H,22,23)/t15-/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
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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0.450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174616
PNG
(CHEMBL197890 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)C(F)(F)F)ccc2o1
Show InChI InChI=1S/C21H22F3N3O/c1-14-3-2-9-27(14)10-8-18-12-15-11-17(5-6-19(15)28-18)26-20-7-4-16(13-25-20)21(22,23)24/h4-7,11-14H,2-3,8-10H2,1H3,(H,25,26)/t14-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174625
PNG
((5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrro...)
Show SMILES CCc1cnc(NCc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1
Show InChI InChI=1S/C22H28N4O/c1-3-17-13-23-22(24-14-17)25-15-18-6-7-21-19(11-18)12-20(27-21)8-10-26-9-4-5-16(26)2/h6-7,11-14,16H,3-5,8-10,15H2,1-2H3,(H,23,24,25)/t16-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174632
PNG
((5-Ethyl-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrro...)
Show SMILES CCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1
Show InChI InChI=1S/C21H26N4O/c1-3-16-13-22-21(23-14-16)24-18-6-7-20-17(11-18)12-19(26-20)8-10-25-9-4-5-15(25)2/h6-7,11-15H,3-5,8-10H2,1-2H3,(H,22,23,24)/t15-/m1/s1
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0.620n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174615
PNG
(CHEMBL424842 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(s3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C19H22N4O3S/c1-13-3-2-7-22(13)8-6-16-10-15-9-14(4-5-17(15)26-16)11-20-19-21-12-18(27-19)23(24)25/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,20,21)/t13-/m1/s1
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0.680n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174617
PNG
(CHEMBL197608 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1
Show InChI InChI=1S/C20H24N4O/c1-15-3-2-7-24(15)8-6-19-10-17-9-16(4-5-20(17)25-19)11-23-18-12-21-14-22-13-18/h4-5,9-10,12-15,23H,2-3,6-8,11H2,1H3/t15-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174633
PNG
((3,5-Dinitro-pyridin-2-yl)-{2-[2-((R)-2-methyl-pyr...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(cc3[N+]([O-])=O)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H23N5O5/c1-14-3-2-7-24(14)8-6-18-10-16-9-15(4-5-20(16)31-18)12-22-21-19(26(29)30)11-17(13-23-21)25(27)28/h4-5,9-11,13-14H,2-3,6-8,12H2,1H3,(H,22,23)/t14-/m1/s1
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0.710n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174635
PNG
(2,2,2-Trifluoro-1-[4-({2-[2-((R)-2-methyl-pyrrolid...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cc3)C(=O)C(F)(F)F)ccc2o1
Show InChI InChI=1S/C24H25F3N2O2/c1-16-3-2-11-29(16)12-10-21-14-19-13-17(4-9-22(19)31-21)15-28-20-7-5-18(6-8-20)23(30)24(25,26)27/h4-9,13-14,16,28H,2-3,10-12,15H2,1H3/t16-/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174628
PNG
(2-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1
Show InChI InChI=1S/C22H24N4O/c1-16-4-3-10-26(16)11-8-20-13-19-12-17(6-7-21(19)27-20)15-25-22-18(14-23)5-2-9-24-22/h2,5-7,9,12-13,16H,3-4,8,10-11,15H2,1H3,(H,24,25)/t16-/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174638
PNG
(CHEMBL198325 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cc3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C22H25N3O3/c1-16-3-2-11-24(16)12-10-21-14-18-13-17(4-9-22(18)28-21)15-23-19-5-7-20(8-6-19)25(26)27/h4-9,13-14,16,23H,2-3,10-12,15H2,1H3/t16-/m1/s1
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0.740n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174624
PNG
(CHEMBL371210 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1
Show InChI InChI=1S/C20H24N4O/c1-15-3-2-9-24(15)10-6-18-12-17-11-16(4-5-19(17)25-18)13-23-20-14-21-7-8-22-20/h4-5,7-8,11-12,14-15H,2-3,6,9-10,13H2,1H3,(H,22,23)/t15-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174626
PNG
(CHEMBL372546 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccn3)ccc2o1
Show InChI InChI=1S/C20H24N4O/c1-15-4-2-10-24(15)11-7-18-13-17-12-16(5-6-19(17)25-18)14-23-20-21-8-3-9-22-20/h3,5-6,8-9,12-13,15H,2,4,7,10-11,14H2,1H3,(H,21,22,23)/t15-/m1/s1
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0.840n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174620
PNG
(CHEMBL371258 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H23N3O3/c1-15-5-4-11-23(15)12-10-18-14-16-13-17(8-9-21(16)27-18)22-19-6-2-3-7-20(19)24(25)26/h2-3,6-9,13-15,22H,4-5,10-12H2,1H3/t15-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174629
PNG
(CHEMBL194620 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C22H25N3O3/c1-16-5-4-11-24(16)12-10-19-14-18-13-17(8-9-22(18)28-19)15-23-20-6-2-3-7-21(20)25(26)27/h2-3,6-9,13-14,16,23H,4-5,10-12,15H2,1H3/t16-/m1/s1
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0.870n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174622
PNG
(3-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3nccnc3C#N)ccc2o1
Show InChI InChI=1S/C21H23N5O/c1-15-3-2-9-26(15)10-6-18-12-17-11-16(4-5-20(17)27-18)14-25-21-19(13-22)23-7-8-24-21/h4-5,7-8,11-12,15H,2-3,6,9-10,14H2,1H3,(H,24,25)/t15-/m1/s1
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1.04n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174612
PNG
(3-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cccc(c3)C#N)ccc2o1
Show InChI InChI=1S/C23H25N3O/c1-17-4-3-10-26(17)11-9-22-14-20-12-19(7-8-23(20)27-22)16-25-21-6-2-5-18(13-21)15-24/h2,5-8,12-14,17,25H,3-4,9-11,16H2,1H3/t17-/m1/s1
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1.18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174631
PNG
(CHEMBL196629 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H24N4O3/c1-15-3-2-9-24(15)10-8-19-12-17-11-16(4-6-20(17)28-19)13-22-21-7-5-18(14-23-21)25(26)27/h4-7,11-12,14-15H,2-3,8-10,13H2,1H3,(H,22,23)/t15-/m1/s1
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1.19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50174630
PNG
((5-Bromo-pyrimidin-2-yl)-{2-[2-((R)-2-methyl-pyrro...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(Br)cn3)ccc2o1
Show InChI InChI=1S/C20H23BrN4O/c1-14-3-2-7-25(14)8-6-18-10-16-9-15(4-5-19(16)26-18)11-22-20-23-12-17(21)13-24-20/h4-5,9-10,12-14H,2-3,6-8,11H2,1H3,(H,22,23,24)/t14-/m1/s1
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1.22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
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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1.23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174614
PNG
(4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benz...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cc3)C#N)ccc2o1
Show InChI InChI=1S/C22H23N3O/c1-16-3-2-11-25(16)12-10-21-14-18-13-20(8-9-22(18)26-21)24-19-6-4-17(15-23)5-7-19/h4-9,13-14,16,24H,2-3,10-12H2,1H3/t16-/m1/s1
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1.35n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174639
PNG
(6-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cn3)C#N)ccc2o1
Show InChI InChI=1S/C22H24N4O/c1-16-3-2-9-26(16)10-8-20-12-19-11-17(4-6-21(19)27-20)14-24-22-7-5-18(13-23)15-25-22/h4-7,11-12,15-16H,2-3,8-10,14H2,1H3,(H,24,25)/t16-/m1/s1
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1.42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174634
PNG
(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benz...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cccc(c3)C#N)ccc2o1
Show InChI InChI=1S/C22H23N3O/c1-16-4-3-10-25(16)11-9-21-14-18-13-20(7-8-22(18)26-21)24-19-6-2-5-17(12-19)15-23/h2,5-8,12-14,16,24H,3-4,9-11H2,1H3/t16-/m1/s1
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1.47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174623
PNG
((6-Chloro-pyridazin-3-yl)-{2-[2-((R)-2-methyl-pyrr...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(Cl)nn3)ccc2o1
Show InChI InChI=1S/C20H23ClN4O/c1-14-3-2-9-25(14)10-8-17-12-16-11-15(4-5-18(16)26-17)13-22-20-7-6-19(21)23-24-20/h4-7,11-12,14H,2-3,8-10,13H2,1H3,(H,22,24)/t14-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174628
PNG
(2-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1
Show InChI InChI=1S/C22H24N4O/c1-16-4-3-10-26(16)11-8-20-13-19-12-17(6-7-21(19)27-20)15-25-22-18(14-23)5-2-9-24-22/h2,5-7,9,12-13,16H,3-4,8,10-11,15H2,1H3,(H,24,25)/t16-/m1/s1
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1.92n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174636
PNG
(CHEMBL198703 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-4-2-10-23(14)11-7-17-13-15-12-16(5-6-18(15)24-17)22-19-20-8-3-9-21-19/h3,5-6,8-9,12-14H,2,4,7,10-11H2,1H3,(H,20,21,22)/t14-/m1/s1
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2.01n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174638
PNG
(CHEMBL198325 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cc3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C22H25N3O3/c1-16-3-2-11-24(16)12-10-21-14-18-13-17(4-9-22(18)28-21)15-23-19-5-7-20(8-6-19)25(26)27/h4-9,13-14,16,23H,2-3,10-12,15H2,1H3/t16-/m1/s1
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2.12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174635
PNG
(2,2,2-Trifluoro-1-[4-({2-[2-((R)-2-methyl-pyrrolid...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(cc3)C(=O)C(F)(F)F)ccc2o1
Show InChI InChI=1S/C24H25F3N2O2/c1-16-3-2-11-29(16)12-10-21-14-19-13-17(4-9-22(19)31-21)15-28-20-7-5-18(6-8-20)23(30)24(25,26)27/h4-9,13-14,16,28H,2-3,10-12,15H2,1H3/t16-/m1/s1
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2.36n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
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