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Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'nguyen' and Initial = 's'   
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))
BDBM22564
PNG
(2-arylbenzimidazole derivative, 10 | 2-{2-chloro-4...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-14-18(2)23-22(15-17)26-24(27-23)20-7-6-19(16-21(20)25)30-13-5-10-29-9-4-8-28(3)11-12-29/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,26,27)
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1 -51.4n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
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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2.60 -49.0n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


J Pharmacol Exp Ther 309: 404-13 (2004)


Article DOI: 10.1124/jpet.103.061754
BindingDB Entry DOI: 10.7270/Q2VX0DTD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179351
PNG
((2-chloro-3-methyl-4H-thieno[3,2-b]pyrrol-5-yl)(4-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2sc(Cl)c(C)c2[nH]1
Show InChI InChI=1S/C13H16ClN3OS/c1-8-11-10(19-12(8)14)7-9(15-11)13(18)17-5-3-16(2)4-6-17/h7,15H,3-6H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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4n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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4.10 -47.9n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


J Pharmacol Exp Ther 309: 404-13 (2004)


Article DOI: 10.1124/jpet.103.061754
BindingDB Entry DOI: 10.7270/Q2VX0DTD
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Mus musculus (mouse))
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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4.60 -47.6n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


J Pharmacol Exp Ther 309: 404-13 (2004)


Article DOI: 10.1124/jpet.103.061754
BindingDB Entry DOI: 10.7270/Q2VX0DTD
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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5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179340
PNG
((5-fluoro-4-methyl-1H-benzoimidazol-2-yl)(4-methyl...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C14H17FN4O/c1-9-10(15)3-4-11-12(9)17-13(16-11)14(20)19-7-5-18(2)6-8-19/h3-4H,5-8H2,1-2H3,(H,16,17)
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7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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7n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133005
PNG
((5-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C14H16BrN3O/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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8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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8n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22563
PNG
(2-arylbenzimidazole derivative, 9 | 2-{2-chloro-4-...)
Show SMILES CN1CCCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C24H31ClN4O/c1-17-6-9-22-23(18(17)2)27-24(26-22)20-8-7-19(16-21(20)25)30-15-5-12-29-11-4-10-28(3)13-14-29/h6-9,16H,4-5,10-15H2,1-3H3,(H,26,27)
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9 -45.9n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133011
PNG
((5,7-Dichloro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)cc(Cl)c2[nH]1
Show InChI InChI=1S/C14H15Cl2N3O/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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11n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133019
PNG
((5,7-Difluoro-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(F)cc(F)c2[nH]1
Show InChI InChI=1S/C14H15F2N3O/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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14n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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17n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179343
PNG
((5-fluoro-1H-benzoimidazol-2-yl)(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(F)cc2[nH]1
Show InChI InChI=1S/C13H15FN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
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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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179349
PNG
((4-methylpiperazin-1-yl)-(3-methyl-4H-thieno[3,2-b...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2scc(C)c2[nH]1
Show InChI InChI=1S/C13H17N3OS/c1-9-8-18-11-7-10(14-12(9)11)13(17)16-5-3-15(2)4-6-16/h7-8,14H,3-6H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22556
PNG
(2-arylbenzimidazole derivative, 2 | 2-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(C)cc(C)cc4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C23H29ClN4O/c1-16-13-17(2)22-21(14-16)25-23(26-22)19-6-5-18(15-20(19)24)29-12-4-7-28-10-8-27(3)9-11-28/h5-6,13-15H,4,7-12H2,1-3H3,(H,25,26)
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22 -43.7n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
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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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179346
PNG
((4-chloro-6-methyl-1H-benzoimidazol-2-yl)(4-methyl...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2cc(C)cc(Cl)c2[nH]1
Show InChI InChI=1S/C14H17ClN4O/c1-9-7-10(15)12-11(8-9)16-13(17-12)14(20)19-5-3-18(2)4-6-19/h7-8H,3-6H2,1-2H3,(H,16,17)
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179345
PNG
((2-chloro-6H-thieno[2,3-b]pyrrol-5-yl)(4-methylpip...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)sc2[nH]1
Show InChI InChI=1S/C12H14ClN3OS/c1-15-2-4-16(5-3-15)12(17)9-6-8-7-10(13)18-11(8)14-9/h6-7,14H,2-5H2,1H3
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25n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22562
PNG
(2-arylbenzimidazole derivative, 8 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(cc2C)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H36N4O/c1-19-17-20(25-27-22-9-8-21(26(2,3)4)18-23(22)28-25)7-10-24(19)31-16-6-11-30-14-12-29(5)13-15-30/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,28)
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26 -43.3n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22560
PNG
(2-arylbenzimidazole derivative, 6 | 5-tert-butyl-2...)
Show SMILES CN1CCCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H35ClN4O/c1-26(2,3)20-8-9-22-23(18-20)29-25(28-22)19-7-10-24(21(27)17-19)32-16-6-13-31-12-5-11-30(4)14-15-31/h7-10,17-18H,5-6,11-16H2,1-4H3,(H,28,29)
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26 -43.3n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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26n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179348
PNG
((5-fluoro-4-methyl-1H-indol-2-yl)-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(C)c(F)ccc2[nH]1
Show InChI InChI=1S/C15H18FN3O/c1-10-11-9-14(17-13(11)4-3-12(10)16)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22558
PNG
(2-arylbenzimidazole derivative, 4 | 4-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4c(ccc5ccccc45)[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C25H27ClN4O/c1-29-12-14-30(15-13-29)11-4-16-31-19-8-9-21(22(26)17-19)25-27-23-10-7-18-5-2-3-6-20(18)24(23)28-25/h2-3,5-10,17H,4,11-16H2,1H3,(H,27,28)
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28 -43.1n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179350
PNG
((4-methyl-1H-benzoimidazol-2-yl)(4-methylpiperazin...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2c(C)cccc2[nH]1
Show InChI InChI=1S/C14H18N4O/c1-10-4-3-5-11-12(10)16-13(15-11)14(19)18-8-6-17(2)7-9-18/h3-5H,6-9H2,1-2H3,(H,15,16)
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30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133008
PNG
((5,7-Dimethyl-1H-indol-2-yl)-(4-methyl-piperazin-1...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(C)cc(C)c2[nH]1
Show InChI InChI=1S/C16H21N3O/c1-11-8-12(2)15-13(9-11)10-14(17-15)16(20)19-6-4-18(3)5-7-19/h8-10,17H,4-7H2,1-3H3
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31n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133009
PNG
((4-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Br)cccc2[nH]1
Show InChI InChI=1S/C14H16BrN3O/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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32n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179352
PNG
((7-chloro-5-methyl-1H-indol-2-yl)(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(C)cc(Cl)c2[nH]1
Show InChI InChI=1S/C15H18ClN3O/c1-10-7-11-9-13(17-14(11)12(16)8-10)15(20)19-5-3-18(2)4-6-19/h7-9,17H,3-6H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179353
PNG
((1H-benzoimidazol-2-yl)(4-methylpiperazin-1-yl)met...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13(18)12-14-10-4-2-3-5-11(10)15-12/h2-5H,6-9H2,1H3,(H,14,15)
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35n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133002
PNG
((1H-Indol-2-yl)-piperazin-1-yl-methanone | (1H-ind...)
Show SMILES O=C(N1CCNCC1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C13H15N3O/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12/h1-4,9,14-15H,5-8H2
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38n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179344
PNG
((2-chloro-4H-thieno[3,2-b]pyrrol-5-yl)(4-methylpip...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2sc(Cl)cc2[nH]1
Show InChI InChI=1S/C12H14ClN3OS/c1-15-2-4-16(5-3-15)12(17)9-6-10-8(14-9)7-11(13)18-10/h6-7,14H,2-5H2,1H3
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22555
PNG
(2-arylbenzimidazole derivative, 1 | 2-{2-chloro-4-...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4ccc(C)c(C)c4[nH]3)c(Cl)c2)CC1
Show InChI InChI=1S/C23H29ClN4O/c1-16-5-8-21-22(17(16)2)26-23(25-21)19-7-6-18(15-20(19)24)29-14-4-9-28-12-10-27(3)11-13-28/h5-8,15H,4,9-14H2,1-3H3,(H,25,26)
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46 -41.9n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
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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46n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179337
PNG
((4,5-difluoro-1H-benzoimidazol-2-yl)(4-methylpiper...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(F)c(F)c2[nH]1
Show InChI InChI=1S/C13H14F2N4O/c1-18-4-6-19(7-5-18)13(20)12-16-9-3-2-8(14)10(15)11(9)17-12/h2-3H,4-7H2,1H3,(H,16,17)
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49n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133015
PNG
((7-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cccc(Br)c2[nH]1
Show InChI InChI=1S/C14H16BrN3O/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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61n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22561
PNG
(2-arylbenzimidazole derivative, 7 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)CC1
Show InChI InChI=1S/C25H33ClN4O/c1-25(2,3)19-7-8-21-22(17-19)28-24(27-21)18-6-9-23(20(26)16-18)31-15-5-10-30-13-11-29(4)12-14-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,28)
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65 -41.0n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179341
PNG
((4-methylpiperazin-1-yl)(4H-thieno[3,2-b]pyrrol-5-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C12H15N3OS/c1-14-3-5-15(6-4-14)12(16)10-8-11-9(13-10)2-7-17-11/h2,7-8,13H,3-6H2,1H3
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90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179336
PNG
((4-methylpiperazin-1-yl)(6H-thieno[2,3-b]pyrrol-5-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccsc2[nH]1
Show InChI InChI=1S/C12H15N3OS/c1-14-3-5-15(6-4-14)12(16)10-8-9-2-7-17-11(9)13-10/h2,7-8,13H,3-6H2,1H3
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90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22557
PNG
(2-arylbenzimidazole derivative, 3 | 5-tert-butyl-2...)
Show SMILES CN1CCN(CCCOc2ccc(-c3nc4ccc(cc4[nH]3)C(C)(C)C)c(Cl)c2)CC1
Show InChI InChI=1S/C25H33ClN4O/c1-25(2,3)18-6-9-22-23(16-18)28-24(27-22)20-8-7-19(17-21(20)26)31-15-5-10-30-13-11-29(4)12-14-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,28)
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93 -40.1n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22565
PNG
(2-arylbenzimidazole lead compound 1 | 5-chloro-2-{...)
Show SMILES CN1CCN(CCCOc2ccc(cc2)-c2nc3ccc(Cl)cc3[nH]2)CC1
Show InChI InChI=1S/C21H25ClN4O/c1-25-10-12-26(13-11-25)9-2-14-27-18-6-3-16(4-7-18)21-23-19-8-5-17(22)15-20(19)24-21/h3-8,15H,2,9-14H2,1H3,(H,23,24)
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124 -39.4n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179339
PNG
((4,6-dichloro-1H-benzoimidazol-2-yl)(4-methylpiper...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2cc(Cl)cc(Cl)c2[nH]1
Show InChI InChI=1S/C13H14Cl2N4O/c1-18-2-4-19(5-3-18)13(20)12-16-10-7-8(14)6-9(15)11(10)17-12/h6-7H,2-5H2,1H3,(H,16,17)
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136n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50133006
PNG
((6-Bromo-1H-indol-2-yl)-(4-methyl-piperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C14H16BrN3O/c1-17-4-6-18(7-5-17)14(19)13-8-10-2-3-11(15)9-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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147n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22559
PNG
(1-{3-[4-(5-tert-butyl-1H-1,3-benzodiazol-2-yl)-2-c...)
Show SMILES CN(C)C1CCN(CCCOc2ccc(cc2Cl)-c2nc3ccc(cc3[nH]2)C(C)(C)C)C1
Show InChI InChI=1S/C26H35ClN4O/c1-26(2,3)19-8-9-22-23(16-19)29-25(28-22)18-7-10-24(21(27)15-18)32-14-6-12-31-13-11-20(17-31)30(4)5/h7-10,15-16,20H,6,11-14,17H2,1-5H3,(H,28,29)
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250 -37.7n/an/an/an/an/a7.525



Johnson & Johnson Pharmaceutical



Assay Description
The Ki values were calculated based on an experimentally determined appropriate Kd value according to Cheng and Prusoff.


Bioorg Med Chem Lett 16: 6043-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.117
BindingDB Entry DOI: 10.7270/Q20P0XB5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179347
PNG
((5-trifluoromethyl-1H-indol-2-yl)-(4-methyl-pipera...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C15H16F3N3O/c1-20-4-6-21(7-5-20)14(22)13-9-10-8-11(15(16,17)18)2-3-12(10)19-13/h2-3,8-9,19H,4-7H2,1H3
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412n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179342
PNG
((4-methylpiperazin-1-yl)(5-trifluoromethyl-1H-benz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C14H15F3N4O/c1-20-4-6-21(7-5-20)13(22)12-18-10-3-2-9(14(15,16)17)8-11(10)19-12/h2-3,8H,4-7H2,1H3,(H,18,19)
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427n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells


J Med Chem 48: 8289-98 (2005)


Article DOI: 10.1021/jm0502081
BindingDB Entry DOI: 10.7270/Q2C24W00
More data for this
Ligand-Target Pair
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