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Compile Data Set for Download or QSAR

Found 946 hits with Last Name = 'scharn' and Initial = 'd'   
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))
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 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))
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))
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
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 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))
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))
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 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))
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 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))
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))
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))
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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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))
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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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))
BDBM50387427
PNG
(CHEMBL2047276)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(F)c2[nH]1
Show InChI InChI=1S/C14H16FN3O/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,5-8H2,1H3
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19.9n/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))
BDBM50387467
PNG
(CHEMBL2047473)
Show SMILES Fc1cc(Cl)cc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C13H13ClFN3O/c14-9-5-8-6-11(17-12(8)10(15)7-9)13(19)18-3-1-16-2-4-18/h5-7,16-17H,1-4H2
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19.9n/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))
BDBM50133016
PNG
((7-Chloro-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(Cl)c2[nH]1
Show InChI InChI=1S/C14H16ClN3O/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,5-8H2,1H3
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19.9n/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))
BDBM50133020
PNG
((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3
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25n/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))
BDBM50491214
PNG
(CHEMBL2375756)
Show SMILES CC(C)CCc1cc(NCCNc2ccnc(N)n2)nc(N)n1
Show InChI InChI=1S/C15H24N8/c1-10(2)3-4-11-9-13(23-15(17)21-11)19-8-7-18-12-5-6-20-14(16)22-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H3,16,18,20,22)(H3,17,19,21,23)
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25n/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))
BDBM50387424
PNG
(CHEMBL2047273)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccc(O)cc2[nH]1
Show InChI InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-8-10-2-3-11(18)9-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3
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25.1n/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))
BDBM50133020
PNG
((1H-Indol-2-yl)-(4-methyl-piperazin-1-yl)-methanon...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13/h2-5,10,15H,6-9H2,1H3
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25.1n/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))
BDBM50133007
PNG
((5-Hydroxy-1H-indol-2-yl)-(4-methyl-piperazin-1-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(O)ccc2[nH]1
Show InChI InChI=1S/C14H17N3O2/c1-16-4-6-17(7-5-16)14(19)13-9-10-8-11(18)2-3-12(10)15-13/h2-3,8-9,15,18H,4-7H2,1H3
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25.1n/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))
BDBM50387469
PNG
(CHEMBL2047264)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Cl)cccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-5-7-18(8-6-17)14(19)13-9-10-11(15)3-2-4-12(10)16-13/h2-4,9,16H,5-8H2,1H3
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31.6n/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))
BDBM50133001
PNG
((5-Amino-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(N)ccc2[nH]1
Show InChI InChI=1S/C14H18N4O/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,4-7,15H2,1H3
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31.6n/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))
BDBM50387459
PNG
(CHEMBL2047263)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)cccc2[nH]1
Show InChI InChI=1S/C14H16FN3O/c1-17-5-7-18(8-6-17)14(19)13-9-10-11(15)3-2-4-12(10)16-13/h2-4,9,16H,5-8H2,1H3
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31.6n/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))
BDBM50387451
PNG
(CHEMBL2047469)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2c(F)c(Cl)ccc2[nH]1
Show InChI InChI=1S/C15H17ClFN3O/c1-19-5-2-6-20(8-7-19)15(21)13-9-10-12(18-13)4-3-11(16)14(10)17/h3-4,9,18H,2,5-8H2,1H3
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31.6n/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))
BDBM50387464
PNG
(CHEMBL2047454)
Show SMILES Cc1cc(Cl)cc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C17H20ClN3O/c1-11-6-13(18)7-12-8-15(19-16(11)12)17(22)21-9-14(10-21)20-4-2-3-5-20/h6-8,14,19H,2-5,9-10H2,1H3
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31.6n/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))
BDBM50491194
PNG
(CHEMBL2375748)
Show SMILES CC(C)CNc1nccc(NCCN(C)c2cc(nc(N)n2)-c2ccccc2)n1
Show InChI InChI=1S/C21H28N8/c1-15(2)14-25-21-24-10-9-18(27-21)23-11-12-29(3)19-13-17(26-20(22)28-19)16-7-5-4-6-8-16/h4-10,13,15H,11-12,14H2,1-3H3,(H2,22,26,28)(H2,23,24,25,27)
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32n/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))
BDBM50387440
PNG
(CHEMBL2047455)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C15H18ClN3O/c1-18-5-2-6-19(8-7-18)15(20)14-10-11-9-12(16)3-4-13(11)17-14/h3-4,9-10,17H,2,5-8H2,1H3
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39.8n/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))
BDBM50387446
PNG
(CHEMBL2047462)
Show SMILES Fc1cccc2cc([nH]c12)C(=O)N1CC(C1)N1CCCC1
Show InChI InChI=1S/C16H18FN3O/c17-13-5-3-4-11-8-14(18-15(11)13)16(21)20-9-12(10-20)19-6-1-2-7-19/h3-5,8,12,18H,1-2,6-7,9-10H2
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39.8n/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))
BDBM50387455
PNG
(CHEMBL2047475)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(F)ccc(C)c2[nH]1
Show InChI InChI=1S/C15H18FN3O/c1-10-3-4-12(16)11-9-13(17-14(10)11)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3
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39.8n/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))
BDBM50387471
PNG
(CHEMBL2047443)
Show SMILES Cc1cccc2cc([nH]c12)C(=O)N1CCNCC1
Show InChI InChI=1S/C14H17N3O/c1-10-3-2-4-11-9-12(16-13(10)11)14(18)17-7-5-15-6-8-17/h2-4,9,15-16H,5-8H2,1H3
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39.8n/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))
BDBM50491211
PNG
(CHEMBL2375667)
Show SMILES CC(C)CNc1cc(nc(N)n1)N(C)CCNc1ccnc(N)n1
Show InChI InChI=1S/C15H25N9/c1-10(2)9-20-12-8-13(23-15(17)22-12)24(3)7-6-18-11-4-5-19-14(16)21-11/h4-5,8,10H,6-7,9H2,1-3H3,(H3,16,18,19,21)(H3,17,20,22,23)
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40n/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))
BDBM50491208
PNG
(CHEMBL2375762)
Show SMILES Cc1nccc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
Show InChI InChI=1S/C17H19N7/c1-12-19-8-7-15(22-12)20-9-10-21-16-11-14(23-17(18)24-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,22)(H3,18,21,23,24)
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40n/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))
BDBM50491218
PNG
(CHEMBL2375771)
Show SMILES CC(C)CNc1nccc(NCCN(C)c2cc(nc(N)n2)-c2cccc(Cl)c2)n1
Show InChI InChI=1S/C21H27ClN8/c1-14(2)13-26-21-25-8-7-18(28-21)24-9-10-30(3)19-12-17(27-20(23)29-19)15-5-4-6-16(22)11-15/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,23,27,29)(H2,24,25,26,28)
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50n/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))
BDBM50491212
PNG
(CHEMBL2375767)
Show SMILES CC(C)CNc1nccc(NCCNc2cc(nc(N)n2)-c2cccc(Cl)c2)n1
Show InChI InChI=1S/C20H25ClN8/c1-13(2)12-26-20-25-7-6-17(29-20)23-8-9-24-18-11-16(27-19(22)28-18)14-4-3-5-15(21)10-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H3,22,24,27,28)(H2,23,25,26,29)
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50n/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))
BDBM50133017
PNG
((5-methyl-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)10-14(16-13)15(19)18-7-5-17(2)6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
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50.1n/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))
BDBM50387475
PNG
(CHEMBL2047468)
Show SMILES CN1CCCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show InChI InChI=1S/C15H17ClFN3O/c1-19-3-2-4-20(6-5-19)15(21)13-8-10-7-11(16)9-12(17)14(10)18-13/h7-9,18H,2-6H2,1H3
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63.1n/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))
BDBM50387450
PNG
(CHEMBL2047467)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N1CCCNCC1
Show InChI InChI=1S/C14H16ClN3O/c15-11-2-3-12-10(8-11)9-13(17-12)14(19)18-6-1-4-16-5-7-18/h2-3,8-9,16-17H,1,4-7H2
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63.1n/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))
BDBM50491195
PNG
(CHEMBL2375755)
Show SMILES CC(C)CNc1cc(NCCNc2ccnc(N)n2)nc(N)n1
Show InChI InChI=1S/C14H23N9/c1-9(2)8-20-12-7-11(22-14(16)23-12)18-6-5-17-10-3-4-19-13(15)21-10/h3-4,7,9H,5-6,8H2,1-2H3,(H3,15,17,19,21)(H4,16,18,20,22,23)
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79n/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))
BDBM50491197
PNG
(CHEMBL2375749)
Show SMILES CN(CCNc1cc(nc(N)n1)-c1ccccc1)c1ccnc(N)n1
Show InChI InChI=1S/C17H20N8/c1-25(15-7-8-21-16(18)24-15)10-9-20-14-11-13(22-17(19)23-14)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,21,24)(H3,19,20,22,23)
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79n/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))
BDBM50491207
PNG
(CHEMBL2375766)
Show SMILES CC(C)CNc1nccc(NCCNc2cc(nc(N)n2)-c2ccccc2)n1
Show InChI InChI=1S/C20H26N8/c1-14(2)13-25-20-24-9-8-17(28-20)22-10-11-23-18-12-16(26-19(21)27-18)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H3,21,23,26,27)(H2,22,24,25,28)
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79n/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
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