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Compile Data Set for Download or QSAR

Found 1963 hits of ki data for polymerid = 2289   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356880
PNG
(CHEMBL1915536)
Show SMILES CNC1CN(C1)c1cc(NCC(C)(C)C)nc(N)n1
Show InChI InChI=1S/C13H24N6/c1-13(2,3)8-16-10-5-11(18-12(14)17-10)19-6-9(7-19)15-4/h5,9,15H,6-8H2,1-4H3,(H3,14,16,17,18)
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0.0340n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamas...


Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343025
PNG
((R)-4-(3-(methylamino)pyrrolidin-1-yl)-N2-neopenty...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)(C)C)c1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-18-14-8-12(7-13(16)19-14)20-6-5-11(9-20)17-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H3,16,18,19)/t11-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356873
PNG
(CHEMBL1914541)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H16ClN5O/c1-20-4-6-21(7-5-20)14-13-12(18-15(17)19-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H2,17,18,19)
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0.100n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343021
PNG
((R)-N2-isobutyl-4-(3-(methylamino)pyrrolidin-1-yl)...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)c1 |r|
Show InChI InChI=1S/C14H25N5/c1-10(2)8-17-14-7-12(6-13(15)18-14)19-5-4-11(9-19)16-3/h6-7,10-11,16H,4-5,8-9H2,1-3H3,(H3,15,17,18)/t11-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50319300
PNG
(CHEMBL1083162 | N-(2-(1H-imidazol-4-yl)ethyl)-3-(4...)
Show SMILES Cc1cc(OCCCNCCc2cnc[nH]2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C23H26FN5O/c1-15-12-18(30-11-3-9-25-10-8-17-13-26-14-27-17)4-5-19(15)23-28-21-7-6-20(24)16(2)22(21)29-23/h4-7,12-14,25H,3,8-11H2,1-2H3,(H,26,27)(H,28,29)
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0.210n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 20: 3367-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.017
BindingDB Entry DOI: 10.7270/Q23J3D4Z
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343018
PNG
(4-(4-methylpiperazin-1-yl)-N2-neopentylpyridine-2,...)
Show SMILES CN1CCN(CC1)c1cc(N)nc(NCC(C)(C)C)c1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)11-17-14-10-12(9-13(16)18-14)20-7-5-19(4)6-8-20/h9-10H,5-8,11H2,1-4H3,(H3,16,17,18)
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0.300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356794
PNG
(CHEMBL1914462)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c3cc(Cl)ccc3sc12
Show InChI InChI=1S/C15H16ClN5S/c1-20-4-6-21(7-5-20)14-13-12(18-15(17)19-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H2,17,18,19)
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0.300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315348
PNG
((R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM335426
PNG
(4-[(3R)-3-(Methylamino)pyrrolidin-1-yl]-N-[(1R,2R,...)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(N[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c1 |r|
Show InChI InChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15-,17-,18-/m1/s1
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US Patent
0.5n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356815
PNG
(CHEMBL1914781)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Br)ccc3oc12 |r|
Show InChI InChI=1S/C15H16BrN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356788
PNG
(CHEMBL1914755)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c3cc(ccc3oc12)C(F)(F)F
Show InChI InChI=1S/C16H16F3N5O/c1-23-4-6-24(7-5-23)14-13-12(21-15(20)22-14)10-8-9(16(17,18)19)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3,(H2,20,21,22)
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0.800n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061017
PNG
(CHEMBL3393547)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)n1 |r|
Show InChI InChI=1S/C16H25N5/c1-17-13-5-7-21(10-13)15-4-6-18-16(20-15)19-14-9-11-2-3-12(14)8-11/h4,6,11-14,17H,2-3,5,7-10H2,1H3,(H,18,19,20)/t11?,12?,13-,14?/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315348
PNG
((R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)ben...)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(Cl)ccc3oc12 |r|
Show InChI InChI=1S/C15H16ClN5O/c1-18-9-4-5-21(7-9)14-13-12(19-15(17)20-14)10-6-8(16)2-3-11(10)22-13/h2-3,6,9,18H,4-5,7H2,1H3,(H2,17,19,20)/t9-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343023
PNG
((R)-N2-cyclopentyl-4-(3-(methylamino)pyrrolidin-1-...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NC2CCCC2)c1 |r|
Show InChI InChI=1S/C15H25N5/c1-17-12-6-7-20(10-12)13-8-14(16)19-15(9-13)18-11-4-2-3-5-11/h8-9,11-12,17H,2-7,10H2,1H3,(H3,16,18,19)/t12-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006745
PNG
(CHEMBL3236556)
Show SMILES N[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
Show InChI InChI=1S/C13H21N5/c14-10-5-6-18(8-10)12-7-11(16-13(15)17-12)9-3-1-2-4-9/h7,9-10H,1-6,8,14H2,(H2,15,16,17)/t10-/m1/s1
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0.920n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Histamine from human histamine 4 receptor transfected in HEK293T cells incubated for 16 hrs by liquid scintillation counter anal...


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115924
BindingDB Entry DOI: 10.7270/Q2833WNJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061098
PNG
(CHEMBL3393534 | US9732087, 1)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)c1 |r|
Show InChI InChI=1S/C17H26N4/c1-18-14-5-7-21(11-14)15-4-6-19-17(10-15)20-16-9-12-2-3-13(16)8-12/h4,6,10,12-14,16,18H,2-3,5,7-9,11H2,1H3,(H,19,20)/t12?,13?,14-,16?/m1/s1
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50342990
PNG
(CHEMBL1771001 | N4-cyclopentyl-6-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1cc(NC2CCCC2)nc(N)n1
Show InChI InChI=1S/C14H24N6/c1-19-6-8-20(9-7-19)13-10-12(17-14(15)18-13)16-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H3,15,16,17,18)
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356817
PNG
(CHEMBL1914783)
Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c3cc(ccc3oc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H16F3N5O/c1-21-9-4-5-24(7-9)14-13-12(22-15(20)23-14)10-6-8(16(17,18)19)2-3-11(10)25-13/h2-3,6,9,21H,4-5,7H2,1H3,(H2,20,22,23)/t9-/m1/s1
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356793
PNG
(CHEMBL1914760)
Show SMILES CN1CCN(CC1)c1nc(N)nc2c3cc(Br)ccc3sc12
Show InChI InChI=1S/C15H16BrN5S/c1-20-4-6-21(7-5-20)14-13-12(18-15(17)19-14)10-8-9(16)2-3-11(10)22-13/h2-3,8H,4-7H2,1H3,(H2,17,18,19)
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343007
PNG
((R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)...)
Show SMILES CN[C@@H]1CCN(C1)c1cc(N)nc(NCC(C)C)n1 |r|
Show InChI InChI=1S/C13H24N6/c1-9(2)7-16-13-17-11(14)6-12(18-13)19-5-4-10(8-19)15-3/h6,9-10,15H,4-5,7-8H2,1-3H3,(H3,14,16,17,18)/t10-/m1/s1
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1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006742
PNG
(CHEMBL3236553)
Show SMILES Nc1nc(cc(n1)N1CCNCC1)C1CCCC1
Show InChI InChI=1S/C13H21N5/c14-13-16-11(10-3-1-2-4-10)9-12(17-13)18-7-5-15-6-8-18/h9-10,15H,1-8H2,(H2,14,16,17)
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1n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 24: 5489-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.013
BindingDB Entry DOI: 10.7270/Q25M67B1
More data for this
Ligand-Target Pair
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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1n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


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


J Med Chem 51: 7855-65 (2008)


Article DOI: 10.1021/jm800876b
BindingDB Entry DOI: 10.7270/Q29Z964R
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061008
PNG
(CHEMBL3393556 | US9732087, 96)
Show SMILES CN[C@@H]1CCN(C1)c1cnnc(NC2CC3CCC2C3)c1 |r|
Show InChI InChI=1S/C16H25N5/c1-17-13-4-5-21(10-13)14-8-16(20-18-9-14)19-15-7-11-2-3-12(15)6-11/h8-9,11-13,15,17H,2-7,10H2,1H3,(H,19,20)/t11?,12?,13-,15?/m1/s1
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
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 -12.3n/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))
BDBM335425
PNG
(4-[(3R)-3-(Methylamino)pyrrolidin-1-yl]-N-[(1S,2S,...)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 |r|
Show InChI InChI=1S/C20H32N4/c1-13-17-9-14(20(17,2)3)10-18(13)23-19-11-16(5-7-22-19)24-8-6-15(12-24)21-4/h5,7,11,13-15,17-18,21H,6,8-10,12H2,1-4H3,(H,22,23)/t13-,14+,15+,17-,18-/m0/s1
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061098
PNG
(CHEMBL3393534 | US9732087, 1)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)c1 |r|
Show InChI InChI=1S/C17H26N4/c1-18-14-5-7-21(11-14)15-4-6-19-17(10-15)20-16-9-12-2-3-13(16)8-12/h4,6,10,12-14,16,18H,2-3,5,7-9,11H2,1H3,(H,19,20)/t12?,13?,14-,16?/m1/s1
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1n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356872
PNG
(CHEMBL1914540)
Show SMILES Nc1nc(N2CCCNCC2)c2oc3ccc(Cl)cc3c2n1
Show InChI InChI=1S/C15H16ClN5O/c16-9-2-3-11-10(8-9)12-13(22-11)14(20-15(17)19-12)21-6-1-4-18-5-7-21/h2-3,8,18H,1,4-7H2,(H2,17,19,20)
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006743
PNG
(CHEMBL3236554)
Show SMILES CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C1CCCC1 |r|
Show InChI InChI=1S/C14H23N5/c1-16-11-6-7-19(9-11)13-8-12(17-14(15)18-13)10-4-2-3-5-10/h8,10-11,16H,2-7,9H2,1H3,(H2,15,17,18)/t11-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356874
PNG
(CHEMBL1914542)
Show SMILES Nc1nc(N2CCNCC2)c2oc3ccc(Cl)cc3c2n1
Show InChI InChI=1S/C14H14ClN5O/c15-8-1-2-10-9(7-8)11-12(21-10)13(19-14(16)18-11)20-5-3-17-4-6-20/h1-2,7,17H,3-6H2,(H2,16,18,19)
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1.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from recombinant human histamine H4 receptor


Bioorg Med Chem Lett 21: 6577-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.014
BindingDB Entry DOI: 10.7270/Q2CN749X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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1.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO-K1 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem 18: 5441-8 (2010)


Article DOI: 10.1016/j.bmc.2010.04.052
BindingDB Entry DOI: 10.7270/Q2C82B88
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50317865
PNG
(2-(2-(4-tert-Butylphenylthio)ethyl)-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20N2S/c1-15(2,3)12-4-6-14(7-5-12)18-9-8-13-10-16-11-17-13/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)
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1.10n/an/an/an/an/an/an/an/a



Meiji Seika Kaisha, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant histamine H4 receptor expressed in CHO cells


J Med Chem 53: 3840-4 (2010)


Article DOI: 10.1021/jm901890s
BindingDB Entry DOI: 10.7270/Q21Z44KC
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006742
PNG
(CHEMBL3236553)
Show SMILES Nc1nc(cc(n1)N1CCNCC1)C1CCCC1
Show InChI InChI=1S/C13H21N5/c14-13-16-11(10-3-1-2-4-10)9-12(17-13)18-7-5-15-6-8-18/h9-10,15H,1-8H2,(H2,14,16,17)
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1.20n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50538682
PNG
(CHEMBL4597218)
Show SMILES CC(C)(C)CNc1nccc(n1)N1CCc2nc[nH]c2C1
Show InChI InChI=1S/C15H22N6/c1-15(2,3)9-17-14-16-6-4-13(20-14)21-7-5-11-12(8-21)19-10-18-11/h4,6,10H,5,7-9H2,1-3H3,(H,18,19)(H,16,17,20)
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1.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate b...


J Med Chem 63: 5297-5311 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00160
BindingDB Entry DOI: 10.7270/Q2WM1HZ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006739
PNG
(CHEMBL3236552)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)C1CCCC1
Show InChI InChI=1S/C14H23N5/c1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H2,15,16,17)
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1.40n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356881
PNG
(CHEMBL1915537)
Show SMILES CNC1CN(C1)c1cc(NCCC(C)(C)C)nc(N)n1
Show InChI InChI=1S/C14H26N6/c1-14(2,3)5-6-17-11-7-12(19-13(15)18-11)20-8-10(9-20)16-4/h7,10,16H,5-6,8-9H2,1-4H3,(H3,15,17,18,19)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamas...


Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006761
PNG
(CHEMBL3236571)
Show SMILES CCCCc1cc(nc(N)n1)N1CC[C@H](C1)NC |r|
Show InChI InChI=1S/C13H23N5/c1-3-4-5-10-8-12(17-13(14)16-10)18-7-6-11(9-18)15-2/h8,11,15H,3-7,9H2,1-2H3,(H2,14,16,17)/t11-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415770
PNG
(CHEMBL1079516)
Show SMILES CNC1CN(C1)c1nc(N)nc2c1CCCC21CCCC1
Show InChI InChI=1S/C16H25N5/c1-18-11-9-21(10-11)14-12-5-4-8-16(6-2-3-7-16)13(12)19-15(17)20-14/h11,18H,2-10H2,1H3,(H2,17,19,20)
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1.51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 20: 1900-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.131
BindingDB Entry DOI: 10.7270/Q21V5G6X
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356884
PNG
(CHEMBL1915540)
Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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1.56n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at full length human H4R expressed in HEK293 cells assessed as reversal of forskolin-induced cAMP production by CRE-beta-lactamas...


Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50414391
PNG
(CHEMBL1202332 | CHEMBL553423)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)c(Cl)c1 |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 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
Agonistic activity at histamine H4 receptor


J Med Chem 54: 1693-703 (2011)


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


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1.60n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H4 receptor (unknown origin)


Bioorg Med Chem Lett 26: 5263-5266 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.049
BindingDB Entry DOI: 10.7270/Q2Q52RMS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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1.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human full-length histamine H4 receptor expressed in HEK293 cells after 60 mins


Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356880
PNG
(CHEMBL1915536)
Show SMILES CNC1CN(C1)c1cc(NCC(C)(C)C)nc(N)n1
Show InChI InChI=1S/C13H24N6/c1-13(2,3)8-16-10-5-11(18-12(14)17-10)19-6-9(7-19)15-4/h5,9,15H,6-8H2,1-4H3,(H3,14,16,17,18)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from full length human H4R expressed in HEK293 cells


Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006769
PNG
(CHEMBL3236579)
Show SMILES CN[C@@H]1CCN(C1)c1cc(nc(N)n1)C12CC3CC(CC(C3)C1)C2 |r,TLB:9:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
Show InChI InChI=1S/C19H29N5/c1-21-15-2-3-24(11-15)17-7-16(22-18(20)23-17)19-8-12-4-13(9-19)6-14(5-12)10-19/h7,12-15,21H,2-6,8-11H2,1H3,(H2,20,22,23)/t12?,13?,14?,15-,19?/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061143
PNG
(CHEMBL3393526 | US9732087, 22)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)c1 |r|
Show InChI InChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006749
PNG
(CHEMBL3236560)
Show SMILES [H][C@@]12CN(C[C@]1([H])NCCC2)c1cc(nc(N)n1)C1CCCC1 |r|
Show InChI InChI=1S/C16H25N5/c17-16-19-13(11-4-1-2-5-11)8-15(20-16)21-9-12-6-3-7-18-14(12)10-21/h8,11-12,14,18H,1-7,9-10H2,(H2,17,19,20)/t12-,14+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50036674
PNG
(CHEMBL3354820)
Show SMILES Nc1cc(cc(NC2CCCC2)n1)N1CCNCC1
Show InChI InChI=1S/C14H23N5/c15-13-9-12(19-7-5-16-6-8-19)10-14(18-13)17-11-3-1-2-4-11/h9-11,16H,1-8H2,(H3,15,17,18)
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 24: 5489-92 (2015)


Article DOI: 10.1016/j.bmcl.2014.10.013
BindingDB Entry DOI: 10.7270/Q25M67B1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061056
PNG
(CHEMBL3393542 | US9732087, 73)
Show SMILES CCCCNc1nccc(n1)N1CC[C@H](C1)NC |r|
Show InChI InChI=1S/C13H23N5/c1-3-4-7-15-13-16-8-5-12(17-13)18-9-6-11(10-18)14-2/h5,8,11,14H,3-4,6-7,9-10H2,1-2H3,(H,15,16,17)/t11-/m1/s1
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2n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


BindingDB Entry DOI: 10.7270/Q2251M9T
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061143
PNG
(CHEMBL3393526 | US9732087, 22)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NCC(C)C)c1 |r|
Show InChI InChI=1S/C14H24N4/c1-11(2)9-17-14-8-13(4-6-16-14)18-7-5-12(10-18)15-3/h4,6,8,11-12,15H,5,7,9-10H2,1-3H3,(H,16,17)/t12-/m1/s1
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2n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
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