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Compile Data Set for Download or QSAR

Found 276 hits with Last Name = 'jongejan' and Initial = 'a'   
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 H4 Receptor


(Rattus norvegicus (rat))
BDBM50361015
PNG
(CHEMBL592379)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H25ClN6O2S/c1-27-10-12-28(13-11-27)21-24-19-8-7-16(22)15-18(19)20(25-21)23-9-14-31(29,30)26-17-5-3-2-4-6-17/h2-8,15,26H,9-14H2,1H3,(H,23,24,25)
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1.55n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H4 receptor


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
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1.58n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
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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1.58n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
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1.58n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Agonistic activity at histamine H4 receptor


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22912
PNG
(VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...)
Show SMILES NC(=N)SCCCc1cnc[nH]1
Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
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2.51n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414387
PNG
(CHEMBL1743881)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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2.51n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414388
PNG
(CHEMBL1202321)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1
Show InChI InChI=1S/C14H17IN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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3.16n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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3.16n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415482
PNG
(CHEMBL591011)
Show SMILES CNS(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C16H23ClN6O2S/c1-18-26(24,25)10-5-19-15-13-11-12(17)3-4-14(13)20-16(21-15)23-8-6-22(2)7-9-23/h3-4,11,18H,5-10H2,1-2H3,(H,19,20,21)
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4.27n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415489
PNG
(CHEMBL591969)
Show SMILES CN1CCN(CC1)c1nc(NCCS(N)(=O)=O)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C15H21ClN6O2S/c1-21-5-7-22(8-6-21)15-19-13-3-2-11(16)10-12(13)14(20-15)18-4-9-25(17,23)24/h2-3,10H,4-9H2,1H3,(H2,17,23,24)(H,18,19,20)
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4.47n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361015
PNG
(CHEMBL592379)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H25ClN6O2S/c1-27-10-12-28(13-11-27)21-24-19-8-7-16(22)15-18(19)20(25-21)23-9-14-31(29,30)26-17-5-3-2-4-6-17/h2-8,15,26H,9-14H2,1H3,(H,23,24,25)
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4.90n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414390
PNG
(CHEMBL1202328)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(F)cc1
Show InChI InChI=1S/C14H17FN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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5.01n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415486
PNG
(CHEMBL592663)
Show SMILES CN(c1ccccc1)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C22H27ClN6O2S/c1-27-11-13-29(14-12-27)22-25-20-9-8-17(23)16-19(20)21(26-22)24-10-15-32(30,31)28(2)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,24,25,26)
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5.37n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415494
PNG
(CHEMBL592434)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(I)ccc2n1
Show InChI InChI=1S/C21H25IN6O2S/c1-27-10-12-28(13-11-27)21-24-19-8-7-16(22)15-18(19)20(25-21)23-9-14-31(29,30)26-17-5-3-2-4-6-17/h2-8,15,26H,9-14H2,1H3,(H,23,24,25)
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5.75n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H16Cl2N4S/c15-12-4-3-10(6-13(12)16)7-19-14(17)21-5-1-2-11-8-18-9-20-11/h3-4,6,8-9H,1-2,5,7H2,(H2,17,19)(H,18,20)
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6.31n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
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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6.31n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414392
PNG
(CHEMBL1202329)
Show SMILES Cc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N4S/c1-12-4-6-13(7-5-12)9-18-15(16)20-8-2-3-14-10-17-11-19-14/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)
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6.31n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415480
PNG
(CHEMBL591500)
Show SMILES CCN(CC)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C19H29ClN6O2S/c1-4-26(5-2)29(27,28)13-8-21-18-16-14-15(20)6-7-17(16)22-19(23-18)25-11-9-24(3)10-12-25/h6-7,14H,4-5,8-13H2,1-3H3,(H,21,22,23)
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7.59n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50412494
PNG
(CHEMBL452847 | VUF-10497)
Show SMILES CN1CCN(CC1)c1nc(NCc2cccs2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C18H20ClN5S/c1-23-6-8-24(9-7-23)18-21-16-5-4-13(19)11-15(16)17(22-18)20-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22)
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7.59n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414373
PNG
(CHEMBL1202319)
Show SMILES COc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N4OS/c1-20-14-6-4-12(5-7-14)9-18-15(16)21-8-2-3-13-10-17-11-19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)
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7.94n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414386
PNG
(CHEMBL1202318)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl
Show InChI InChI=1S/C14H17ClN4S/c15-13-6-2-1-4-11(13)8-18-14(16)20-7-3-5-12-9-17-10-19-12/h1-2,4,6,9-10H,3,5,7-8H2,(H2,16,18)(H,17,19)
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7.94n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414389
PNG
(CHEMBL1202324)
Show SMILES N=C(NCc1ccccc1)SCCCc1cnc[nH]1
Show InChI InChI=1S/C14H18N4S/c15-14(17-9-12-5-2-1-3-6-12)19-8-4-7-13-10-16-11-18-13/h1-3,5-6,10-11H,4,7-9H2,(H2,15,17)(H,16,18)
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7.94n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418066
PNG
(CHEMBL1688976)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCC2)nn1
Show InChI InChI=1S/C14H21N5/c1-2-5-12(4-1)8-14-10-19(18-17-14)7-3-6-13-9-15-11-16-13/h9-12H,1-8H2,(H,15,16)
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7.94n/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 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414385
PNG
(CHEMBL1202326)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)
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7.94n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414376
PNG
(CHEMBL561250)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1
Show InChI InChI=1S/C15H19BrN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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7.94n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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7.94n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415500
PNG
(CHEMBL591496)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2c(cccc2n1)C(F)(F)F
Show InChI InChI=1S/C22H25F3N6O2S/c1-30-11-13-31(14-12-30)21-27-18-9-5-8-17(22(23,24)25)19(18)20(28-21)26-10-15-34(32,33)29-16-6-3-2-4-7-16/h2-9,29H,10-15H2,1H3,(H,26,27,28)
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8.13n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50418058
PNG
(CHEMBL1688946)
Show SMILES C(Cc1cnc[nH]1)Cn1cc(CC2CCCCC2)nn1
Show InChI InChI=1S/C15H23N5/c1-2-5-13(6-3-1)9-15-11-20(19-18-15)8-4-7-14-10-16-12-17-14/h10-13H,1-9H2,(H,16,17)
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8.32n/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 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415485
PNG
(CHEMBL591250)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)N2CCOCC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H27ClN6O3S/c1-24-5-7-25(8-6-24)19-22-17-3-2-15(20)14-16(17)18(23-19)21-4-13-30(27,28)26-9-11-29-12-10-26/h2-3,14H,4-13H2,1H3,(H,21,22,23)
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9.33n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414375
PNG
(CHEMBL1202322)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C15H19ClN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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10n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414388
PNG
(CHEMBL1202321)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1
Show InChI InChI=1S/C14H17IN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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10n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414386
PNG
(CHEMBL1202318)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl
Show InChI InChI=1S/C14H17ClN4S/c15-13-6-2-1-4-11(13)8-18-14(16)20-7-3-5-12-9-17-10-19-12/h1-2,4,6,9-10H,3,5,7-8H2,(H2,16,18)(H,17,19)
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10n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414387
PNG
(CHEMBL1743881)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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10n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414382
PNG
(CHEMBL1202331)
Show SMILES N=C(NCCCc1ccccc1)SCCCc1cnc[nH]1
Show InChI InChI=1S/C16H22N4S/c17-16(21-11-5-9-15-12-18-13-20-15)19-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H2,17,19)(H,18,20)
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10n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415484
PNG
(CHEMBL591249)
Show SMILES CC1CCCCN1S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C21H31ClN6O2S/c1-16-5-3-4-9-28(16)31(29,30)14-8-23-20-18-15-17(22)6-7-19(18)24-21(25-20)27-12-10-26(2)11-13-27/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,23,24,25)
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10n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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10n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415499
PNG
(CHEMBL589746)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)cc(Cl)c2n1
Show InChI InChI=1S/C21H24Cl2N6O2S/c1-28-8-10-29(11-9-28)21-25-19-17(13-15(22)14-18(19)23)20(26-21)24-7-12-32(30,31)27-16-5-3-2-4-6-16/h2-6,13-14,27H,7-12H2,1H3,(H,24,25,26)
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11.2n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
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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11.8n/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 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
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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12.0n/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 60 mins by liquid scintillation counting


J Med Chem 54: 1693-703 (2011)


Article DOI: 10.1021/jm1013488
BindingDB Entry DOI: 10.7270/Q20G3MDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
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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12.0n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415481
PNG
(CHEMBL592188)
Show SMILES CN(C)S(=O)(=O)CCNc1nc(nc2ccc(Cl)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C17H25ClN6O2S/c1-22(2)27(25,26)11-6-19-16-14-12-13(18)4-5-15(14)20-17(21-16)24-9-7-23(3)8-10-24/h4-5,12H,6-11H2,1-3H3,(H,19,20,21)
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12.6n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22912
PNG
(VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...)
Show SMILES NC(=N)SCCCc1cnc[nH]1
Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
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12.6n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414373
PNG
(CHEMBL1202319)
Show SMILES COc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N4OS/c1-20-14-6-4-12(5-7-14)9-18-15(16)21-8-2-3-13-10-17-11-19-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,16,18)(H,17,19)
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12.6n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414378
PNG
(CHEMBL1202320)
Show SMILES Cc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H22N4S/c1-13-4-6-14(7-5-13)8-9-19-16(17)21-10-2-3-15-11-18-12-20-15/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
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12.6n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415498
PNG
(CHEMBL589782)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Br)c(Cl)cc2n1
Show InChI InChI=1S/C21H24BrClN6O2S/c1-28-8-10-29(11-9-28)21-25-19-14-18(23)17(22)13-16(19)20(26-21)24-7-12-32(30,31)27-15-5-3-2-4-6-15/h2-6,13-14,27H,7-12H2,1H3,(H,24,25,26)
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15.5n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414385
PNG
(CHEMBL1202326)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)
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15.8n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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15.8n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415483
PNG
(CHEMBL591248)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)N2CCCC2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H27ClN6O2S/c1-24-9-11-25(12-10-24)19-22-17-5-4-15(20)14-16(17)18(23-19)21-6-13-29(27,28)26-7-2-3-8-26/h4-5,14H,2-3,6-13H2,1H3,(H,21,22,23)
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17.8n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415497
PNG
(CHEMBL590995)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)c(Cl)cc2n1
Show InChI InChI=1S/C21H24Cl2N6O2S/c1-28-8-10-29(11-9-28)21-25-19-14-18(23)17(22)13-16(19)20(26-21)24-7-12-32(30,31)27-15-5-3-2-4-6-15/h2-6,13-14,27H,7-12H2,1H3,(H,24,25,26)
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19.1n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50414379
PNG
(CHEMBL1202325)
Show SMILES COc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H22N4OS/c1-21-15-6-4-13(5-7-15)8-9-19-16(17)22-10-2-3-14-11-18-12-20-14/h4-7,11-12H,2-3,8-10H2,1H3,(H2,17,19)(H,18,20)
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19.9n/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 human SK-N-MC cells by liquid scintillation counting


Bioorg Med Chem 17: 3987-94 (2009)


Article DOI: 10.1016/j.bmc.2009.04.007
BindingDB Entry DOI: 10.7270/Q2SQ91MW
More data for this
Ligand-Target Pair
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