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Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'haaksma' and Initial = 'ee'   
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


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
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 H3 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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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 H3 receptor


(Homo sapiens (Human))
BDBM50414387
PNG
(CHEMBL1743881)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Br)cc1 |w:11.12|
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 H3 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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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 H3 receptor


(Homo sapiens (Human))
BDBM50414388
PNG
(CHEMBL1202321)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(I)cc1 |w:11.12|
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 H3 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
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))
BDBM50342989
PNG
(CHEMBL1771000 | N4-isobutyl-6-(4-methylpiperazin-1...)
Show SMILES CC(C)CNc1cc(nc(N)n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H24N6/c1-10(2)9-15-11-8-12(17-13(14)16-11)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
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3.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50491219
PNG
(CHEMBL493720)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H18ClN5/c1-20-6-8-21(9-7-20)14-10-13(18-15(17)19-14)11-2-4-12(16)5-3-11/h2-5,10H,6-9H2,1H3,(H2,17,18,19)
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3.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50491206
PNG
(CHEMBL2375772)
Show SMILES CC(C)CCc1cc(nc(N)n1)N1CCN(C)CC1
Show InChI InChI=1S/C14H25N5/c1-11(2)4-5-12-10-13(17-14(15)16-12)19-8-6-18(3)7-9-19/h10-11H,4-9H2,1-3H3,(H2,15,16,17)
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3.20n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414390
PNG
(CHEMBL1202328)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(F)cc1 |w:11.12|
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))
BDBM50387437
PNG
(CHEMBL2047450)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(N)c2[nH]1
Show InChI InChI=1S/C14H17ClN4O/c1-18-2-4-19(5-3-18)14(20)12-7-9-6-10(15)8-11(16)13(9)17-12/h6-8,17H,2-5,16H2,1H3
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5.01n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Prothrombin


(Bos taurus (Bovine))
BDBM50037996
PNG
(1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimido...)
Show SMILES NC(=N)c1ccc(C[C@@H](NC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
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6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory Activity against bovine thrombin


J Med Chem 43: 3033-44 (2000)


BindingDB Entry DOI: 10.7270/Q20R9Q3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50491203
PNG
(CHEMBL2375757)
Show SMILES Nc1nccc(NCCNc2cc(nc(N)n2)-c2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H17ClN8/c17-11-3-1-2-10(8-11)12-9-14(25-16(19)23-12)21-7-6-20-13-4-5-22-15(18)24-13/h1-5,8-9H,6-7H2,(H3,18,20,22,24)(H3,19,21,23,25)
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6.30n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human histamine H4 receptor expressed in SK-NM-C cells after 60 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |w:11.12|
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 H3 receptor


(Homo sapiens (Human))
BDBM50414392
PNG
(CHEMBL1202329)
Show SMILES Cc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:6.5|
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))
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
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50387436
PNG
(CHEMBL2047449)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(C)c2[nH]1
Show InChI InChI=1S/C15H18ClN3O/c1-10-7-12(16)8-11-9-13(17-14(10)11)15(20)19-5-3-18(2)4-6-19/h7-9,17H,3-6H2,1-2H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50387435
PNG
(CHEMBL2047448)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show InChI InChI=1S/C14H15ClFN3O/c1-18-2-4-19(5-3-18)14(20)12-7-9-6-10(15)8-11(16)13(9)17-12/h6-8,17H,2-5H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50387434
PNG
(CHEMBL2047447)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H15ClFN3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133018
PNG
((4,5-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/c1-18-4-6-19(7-5-18)14(20)12-8-9-11(17-12)3-2-10(15)13(9)16/h2-3,8,17H,4-7H2,1H3
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6.31n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50491191
PNG
(CHEMBL2375773)
Show SMILES Nc1nccc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
Show InChI InChI=1S/C16H18N8/c17-15-21-7-6-13(23-15)19-8-9-20-14-10-12(22-16(18)24-14)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H3,17,19,21,23)(H3,18,20,22,24)
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7.90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26390
PNG
(4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-ami...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
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7.90n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human recombinant histamine H4 receptor expressed in SK-NM-C cells after 45 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
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 H3 receptor


(Homo sapiens (Human))
BDBM50414385
PNG
(CHEMBL1202326)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1 |w:11.12|
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 H3 receptor


(Homo sapiens (Human))
BDBM50414386
PNG
(CHEMBL1202318)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl |w:11.12|
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 H3 receptor


(Homo sapiens (Human))
BDBM50414376
PNG
(CHEMBL561250)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Br)cc1 |w:11.12|
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 H3 receptor


(Homo sapiens (Human))
BDBM50414373
PNG
(CHEMBL1202319)
Show SMILES COc1ccc(CN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6|
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 H3 receptor


(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))
BDBM50387449
PNG
(CHEMBL2047466)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C16H18ClN3O/c17-12-3-4-14-11(7-12)8-15(18-14)16(21)20-9-13(10-20)19-5-1-2-6-19/h3-4,7-8,13,18H,1-2,5-6,9-10H2
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10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50414375
PNG
(CHEMBL1202322)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(Cl)cc1 |w:11.12|
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 H3 receptor


(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))
BDBM50414386
PNG
(CHEMBL1202318)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccccc1Cl |w:11.12|
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))
BDBM50491220
PNG
(CHEMBL2375770)
Show SMILES CN(CCNc1ccnc(N)n1)c1cc(nc(N)n1)-c1ccccc1
Show InChI InChI=1S/C17H20N8/c1-25(10-9-20-14-7-8-21-16(18)23-14)15-11-13(22-17(19)24-15)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,19,22,24)(H3,18,20,21,23)
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10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human histamine H4 receptor expressed in SK-NM-C cells after 60 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
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 |w:11.12|
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))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
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))
BDBM50491217
PNG
(CHEMBL2375668)
Show SMILES CC(C)CCc1cc(nc(N)n1)N(C)CCNc1ccnc(N)n1
Show InChI InChI=1S/C16H26N8/c1-11(2)4-5-12-10-14(23-16(18)21-12)24(3)9-8-19-13-6-7-20-15(17)22-13/h6-7,10-11H,4-5,8-9H2,1-3H3,(H2,18,21,23)(H3,17,19,20,22)
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10n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH & Co KG

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine displacement from human histamine H4 receptor expressed in SK-NM-C cells after 60 mins


J Med Chem 56: 4264-76 (2013)


Article DOI: 10.1021/jm301886t
BindingDB Entry DOI: 10.7270/Q2RJ4NC8
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 |w:11.12|
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 H4 receptor


(Homo sapiens (Human))
BDBM50387438
PNG
(CHEMBL2047451)
Show SMILES Cc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C14H16ClN3O/c1-9-6-11(15)7-10-8-12(17-13(9)10)14(19)18-4-2-16-3-5-18/h6-8,16-17H,2-5H2,1H3
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12.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26391
PNG
(5-chloro-2-(piperazin-1-ylcarbonyl)-1H-indole | JN...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCNCC1
Show InChI InChI=1S/C13H14ClN3O/c14-10-1-2-11-9(7-10)8-12(16-11)13(18)17-5-3-15-4-6-17/h1-2,7-8,15-16H,3-6H2
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12.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
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 |w:7.6|
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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PubMed
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 H3 receptor


(Homo sapiens (Human))
BDBM50414378
PNG
(CHEMBL1202320)
Show SMILES Cc1ccc(CCN=C(N)SCCCc2cnc[nH]2)cc1 |w:7.6|
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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PubMed
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))
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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PubMed
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))
BDBM50132999
PNG
((7-Methyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(C)c2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-11-4-3-5-12-10-13(16-14(11)12)15(19)18-8-6-17(2)7-9-18/h3-5,10,16H,6-9H2,1-2H3
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12.6n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50132996
PNG
((5-Fluoro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C14H16FN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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PubMed
15.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133004
PNG
((7-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(N)c2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-17-5-7-18(8-6-17)14(19)12-9-10-3-2-4-11(15)13(10)16-12/h2-4,9,16H,5-8,15H2,1H3
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15.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
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 |w:11.12|
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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PubMed
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))
BDBM50414385
PNG
(CHEMBL1202326)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1cccc(Cl)c1 |w:11.12|
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))
BDBM50387452
PNG
(CHEMBL2047470)
Show SMILES Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C16H17ClFN3O/c17-11-5-10-6-14(19-15(10)13(18)7-11)16(22)21-8-12(9-21)20-3-1-2-4-20/h5-7,12,19H,1-4,8-9H2
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PubMed
15.8n/an/an/an/an/an/an/an/a



Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


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


Eur J Med Chem 54: 660-8 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.016
BindingDB Entry DOI: 10.7270/Q2251K7H
More data for this
Ligand-Target Pair
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