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PubMed code 22007643

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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PubMed
 0.178n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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PubMed
 2.09n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50358532
PNG
(CHEMBL1923521)
Show SMILES C(c1ccccc1)c1ccccc1OC1CCNCC1
Show InChI InChI=1S/C18H21NO/c1-2-6-15(7-3-1)14-16-8-4-5-9-18(16)20-17-10-12-19-13-11-17/h1-9,17,19H,10-14H2
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PubMed
 6.30n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50358533
PNG
(CHEMBL1923522)
Show SMILES CN1CCN(CC1)c1nc(N2CCCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C15H23N7/c1-19-7-9-22(10-8-19)15-17-13-12(11-16-20(13)2)14(18-15)21-5-3-4-6-21/h11H,3-10H2,1-2H3
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 62n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50358535
PNG
(CHEMBL1923530)
Show SMILES C1CCC(C1)N1CCN(CC1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H22N4/c1-2-6-14(5-1)20-9-11-21(12-10-20)17-15-7-3-4-8-16(15)18-13-19-17/h3-4,7-8,13-14H,1-2,5-6,9-12H2
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 100n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419457
PNG
(CHEMBL1923523)
Show SMILES NC1=Nc2nc3ccccc3n2C(N1)c1ccccc1 |t:1|
Show InChI InChI=1S/C15H13N5/c16-14-18-13(10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)17-15(20)19-14/h1-9,13H,(H3,16,17,18,19)
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 427n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419466
PNG
(CHEMBL1923524)
Show SMILES Cc1cccc2c(CCN)cn(Cc3ccccc3)c12
Show InChI InChI=1S/C18H20N2/c1-14-6-5-9-17-16(10-11-19)13-20(18(14)17)12-15-7-3-2-4-8-15/h2-9,13H,10-12,19H2,1H3
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 537n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50358534
PNG
(CHEMBL1923529)
Show SMILES C(Cn1cnn2c3ccccc3nc12)N1CCCCC1
Show InChI InChI=1S/C15H19N5/c1-4-8-18(9-5-1)10-11-19-12-16-20-14-7-3-2-6-13(14)17-15(19)20/h2-3,6-7,12H,1,4-5,8-11H2
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 600n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419458
PNG
(CHEMBL1923525)
Show SMILES CN(C)CCSc1nc2ccccc2c2nnnn12
Show InChI InChI=1S/C12H14N6S/c1-17(2)7-8-19-12-13-10-6-4-3-5-9(10)11-14-15-16-18(11)12/h3-6H,7-8H2,1-2H3
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 708n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419459
PNG
(CHEMBL1923526)
Show SMILES OCCN1CCN(CC1)c1ncnc2sccc12
Show InChI InChI=1S/C12H16N4OS/c17-7-6-15-2-4-16(5-3-15)11-10-1-8-18-12(10)14-9-13-11/h1,8-9,17H,2-7H2
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 708n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50136681
PNG
(CHEMBL343324 | Methyl-[3-(naphthalen-1-yloxy)-prop...)
Show SMILES CNCCCOc1cccc2ccccc12
Show InChI InChI=1S/C14H17NO/c1-15-10-5-11-16-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9,15H,5,10-11H2,1H3
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 794n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419464
PNG
(CHEMBL1923527)
Show SMILES C(Cn1c(cc2cccnc12)C1CCCO1)N1CCCCC1
Show InChI InChI=1S/C18H25N3O/c1-2-9-20(10-3-1)11-12-21-16(17-7-5-13-22-17)14-15-6-4-8-19-18(15)21/h4,6,8,14,17H,1-3,5,7,9-13H2
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 1.78E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419460
PNG
(CHEMBL1403257)
Show SMILES C1CCN(C1)c1nc(nc(n1)N1CCNCC1)N1CCCC1
Show InChI InChI=1S/C15H25N7/c1-2-8-20(7-1)13-17-14(21-9-3-4-10-21)19-15(18-13)22-11-5-16-6-12-22/h16H,1-12H2
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 1.91E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419467
PNG
(CHEMBL1923528)
Show SMILES CNCC(O)CN1C2CCCCC2c2ccccc12
Show InChI InChI=1S/C16H24N2O/c1-17-10-12(19)11-18-15-8-4-2-6-13(15)14-7-3-5-9-16(14)18/h2,4,6,8,12,14,16-17,19H,3,5,7,9-11H2,1H3
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 2.29E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50358536
PNG
(CHEMBL1923533)
Show SMILES OC(CNC1CC1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c21-14(11-19-13-9-10-13)12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,19,21H,9-12H2
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 2.40E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50358534
PNG
(CHEMBL1923529)
Show SMILES C(Cn1cnn2c3ccccc3nc12)N1CCCCC1
Show InChI InChI=1S/C15H19N5/c1-4-8-18(9-5-1)10-11-19-12-16-20-14-7-3-2-6-13(14)17-15(19)20/h2-3,6-7,12H,1,4-5,8-11H2
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 2.63E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50358533
PNG
(CHEMBL1923522)
Show SMILES CN1CCN(CC1)c1nc(N2CCCC2)c2cnn(C)c2n1
Show InChI InChI=1S/C15H23N7/c1-19-7-9-22(10-8-19)15-17-13-12(11-16-20(13)2)14(18-15)21-5-3-4-6-21/h11H,3-10H2,1-2H3
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 2.90E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50358535
PNG
(CHEMBL1923530)
Show SMILES C1CCC(C1)N1CCN(CC1)c1ncnc2ccccc12
Show InChI InChI=1S/C17H22N4/c1-2-6-14(5-1)20-9-11-21(12-10-20)17-15-7-3-4-8-16(15)18-13-19-17/h3-4,7-8,13-14H,1-2,5-6,9-12H2
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 3.24E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419461
PNG
(CHEMBL1923531)
Show SMILES C(Cn1c2ccccc2n2ncnc12)N1CCCCC1
Show InChI InChI=1S/C15H19N5/c1-4-8-18(9-5-1)10-11-19-13-6-2-3-7-14(13)20-15(19)16-12-17-20/h2-3,6-7,12H,1,4-5,8-11H2
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 4.17E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM86593
PNG
(ZINC 10436232, 69)
Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C14H17NO/c1-11(2)15-10-13-8-9-14(16-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3/p+1
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 4.57E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419468
PNG
(CHEMBL434001)
Show SMILES OCCN1CCN(CC1)c1ncnc2c3ccccc3oc12
Show InChI InChI=1S/C16H18N4O2/c21-10-9-19-5-7-20(8-6-19)16-15-14(17-11-18-16)12-3-1-2-4-13(12)22-15/h1-4,11,21H,5-10H2
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 5.37E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50358536
PNG
(CHEMBL1923533)
Show SMILES OC(CNC1CC1)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C18H20N2O/c21-14(11-19-13-9-10-13)12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,19,21H,9-12H2
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PubMed
 6.31E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419462
PNG
(CHEMBL1923534)
Show SMILES NCCSc1nc(C2CCCCC2)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H22N4S/c17-11-12-21-16-18-15(13-7-3-1-4-8-13)20(19-16)14-9-5-2-6-10-14/h2,5-6,9-10,13H,1,3-4,7-8,11-12,17H2
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 8.13E+3n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419463
PNG
(CHEMBL1617548)
Show SMILES C=CCn1c2ccccc2n(CC(=O)c2ccccc2)c1=N
Show InChI InChI=1S/C18H17N3O/c1-2-12-20-15-10-6-7-11-16(15)21(18(20)19)13-17(22)14-8-4-3-5-9-14/h2-11,19H,1,12-13H2
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 1.07E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50419465
PNG
(CHEMBL1923535)
Show SMILES NCCc1ccccc1Oc1ccccc1
Show InChI InChI=1S/C14H15NO/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-9H,10-11,15H2
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MCE
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 1.10E+4n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting

J Med Chem 54: 8195-206 (2011)


Article DOI: 10.1021/jm2011589
BindingDB Entry DOI: 10.7270/Q2QF8T85
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%