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Compile Data Set for Download or QSAR

Found 208 hits of ic50 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))
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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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced shape change by GAFS assay


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))
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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n/an/a 1n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
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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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced actin polymerisation


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))
BDBM50538677
PNG
(CHEMBL4635634)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1
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n/an/a 1.70n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H4R expressed in HEK293-SF-hH4R-His6-CRE-Luc cells assessed as reduction in histamine-induced inhibition of forskol...


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))
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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n/an/a 3n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315349
PNG
((S)-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-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
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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n/an/a 4.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced CD11b upregulation


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))
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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n/an/a 5.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at H4R in human eosinophils assessed as inhibition of histamine-induced actin polymerisation


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



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor expressed in HEK293T cells by CRE-beta-galactosidase assay


J Med Chem 53: 2390-400 (2010)


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


(Homo sapiens (Human))
BDBM294419
PNG
(US9586959, Compound 98)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nc(C)nc12
Show InChI InChI=1S/C14H16ClN7/c1-9-17-14-13(21-5-3-20(2)4-6-21)18-12-11(22(14)19-9)7-10(15)8-16-12/h7-8H,3-6H2,1-2H3
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US Patent
n/an/a 11n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
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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n/an/a 13n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H4 receptor expressed in CHOK1 cells co-expressing Galpha16/aequorin assessed as inhibition of histamine-ind...


Bioorg Med Chem 27: 1254-1262 (2019)


Article DOI: 10.1016/j.bmc.2019.02.020
BindingDB Entry DOI: 10.7270/Q2C250Z5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315349
PNG
((S)-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-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50538677
PNG
(CHEMBL4635634)
Show SMILES OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCCCc3c[nH]cn3)c(C)c2)cc1
Show InChI InChI=1S/C26H33N4/c1-21-17-24(10-6-5-9-23-12-14-26(15-13-23)29(3)4)18-22(2)30(21)16-8-7-11-25-19-27-20-28-25/h5-6,9-10,12-15,17-20H,7-8,11,16H2,1-4H3,(H,27,28)/q+1
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n/an/a 15n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H4R expressed in HEK293 cells co-expressing ELucC/ELucN-beta-arrestin2 assessed as inhibition of histamine-induced ...


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))
BDBM294378
PNG
(US9586959, Compound 31)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2c2nc(C)nn12
Show InChI InChI=1S/C14H16ClN7/c1-9-17-13-11-7-10(15)8-16-12(11)18-14(22(13)19-9)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
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US Patent
n/an/a 16n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315314
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d...)
Show SMILES CN1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C15H15ClN4O/c1-19-4-6-20(7-5-19)15-14-13(17-9-18-15)11-8-10(16)2-3-12(11)21-14/h2-3,8-9H,4-7H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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n/an/a 19n/an/an/an/an/an/a



Universit£ Bourgogne Franche-Comt£

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in CHO-K1 cells co-expressing G protein alpha16 assessed as inhibition of histamine-induced calciu...


J Med Chem 62: 11416-11422 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00937
BindingDB Entry DOI: 10.7270/Q2736V9G
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294427
PNG
(US9586959, Compound disclosed in WO 2010030785, Ex...)
Show SMILES CN1CCN(CC1)c1nc2ccc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294427
PNG
(US9586959, Compound disclosed in WO 2010030785, Ex...)
Show SMILES CN1CCN(CC1)c1nc2ccc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3
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US Patent
n/an/a 22n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294407
PNG
(US9586959, Compound 69 | US9586959, Compound 95)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294407
PNG
(US9586959, Compound 69 | US9586959, Compound 95)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at recombinant human histamine H4 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine induced st...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294418
PNG
(US9586959, Compound 96)
Show SMILES CN1CCN(CC1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C12H13BrN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3
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n/an/a 28n/an/an/an/a7.525



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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294418
PNG
(US9586959, Compound 96)
Show SMILES CN1CCN(CC1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C12H13BrN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3
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TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
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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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
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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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at H4R in human eosinophils assessed as inhibition of imetit-induced shape change by GAFS assay


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))
BDBM294373
PNG
(US9586959, Compound 104 | US9586959, Compound 24 |...)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12
Show InChI InChI=1S/C12H12BrN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315333
PNG
((R)-N-methyl-1-(8-(trifluoromethyl)benzofuro[3,2-d...)
Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3cc(ccc3oc12)C(F)(F)F |r|
Show InChI InChI=1S/C16H15F3N4O/c1-20-10-4-5-23(7-10)15-14-13(21-8-22-15)11-6-9(16(17,18)19)2-3-12(11)24-14/h2-3,6,8,10,20H,4-5,7H2,1H3/t10-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50537206
PNG
(CHEMBL4483783)
Show SMILES CN1CCN(CC1)c1nc(N)nc(CC2CCCCC2)n1
Show InChI InChI=1S/C15H26N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h12H,2-11H2,1H3,(H2,16,17,18,19)
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n/an/a 32n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human H4 receptor expressed in CHOK1 cells co-expressing Galpha16/aequorin assessed as inhibition of histamine-ind...


Bioorg Med Chem 27: 1254-1262 (2019)


Article DOI: 10.1016/j.bmc.2019.02.020
BindingDB Entry DOI: 10.7270/Q2C250Z5
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315323
PNG
((R)-1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...)
Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r|
Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361015
PNG
(CHEMBL592379)
Show SMILES CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C21H25ClN6O2S/c1-27-10-12-28(13-11-27)21-24-19-8-7-16(22)15-18(19)20(25-21)23-9-14-31(29,30)26-17-5-3-2-4-6-17/h2-8,15,26H,9-14H2,1H3,(H,23,24,25)
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n/an/a 33.1n/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor expressed in HEK293T cells by CRE-beta-galactosidase assay


J Med Chem 53: 2390-400 (2010)


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


(Homo sapiens (Human))
BDBM294386
PNG
(US9586959, Compound 49)
Show SMILES CN1CCN(CC1)c1nc2ncc(I)cc2n2cnnc12
Show InChI InChI=1S/C13H14IN7/c1-19-2-4-20(5-3-19)12-13-18-16-8-21(13)10-6-9(14)7-15-11(10)17-12/h6-8H,2-5H2,1H3
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C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294386
PNG
(US9586959, Compound 49)
Show SMILES CN1CCN(CC1)c1nc2ncc(I)cc2n2cnnc12
Show InChI InChI=1S/C13H14IN7/c1-19-2-4-20(5-3-19)12-13-18-16-8-21(13)10-6-9(14)7-15-11(10)17-12/h6-8H,2-5H2,1H3
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TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294407
PNG
(US9586959, Compound 69 | US9586959, Compound 95)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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n/an/a 35n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294373
PNG
(US9586959, Compound 104 | US9586959, Compound 24 |...)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12
Show InChI InChI=1S/C12H12BrN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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n/an/a 36n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315339
PNG
(8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)benzof...)
Show SMILES CN1CCN(CC1)c1nc(C)nc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C16H17ClN4O/c1-10-18-14-12-9-11(17)3-4-13(12)22-15(14)16(19-10)21-7-5-20(2)6-8-21/h3-4,9H,5-8H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315342
PNG
(8-chloro-4-(4-methylpiperazin-1-yl)-2-(trifluorome...)
Show SMILES CN1CCN(CC1)c1nc(nc2c3cc(Cl)ccc3oc12)C(F)(F)F
Show InChI InChI=1S/C16H14ClF3N4O/c1-23-4-6-24(7-5-23)14-13-12(21-15(22-14)16(18,19)20)10-8-9(17)2-3-11(10)25-13/h2-3,8H,4-7H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294361
PNG
(US9586959, Compound 4)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C13H14ClN7/c1-19-2-4-20(5-3-19)12-13-18-16-8-21(13)10-6-9(14)7-15-11(10)17-12/h6-8H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315323
PNG
((R)-1-(8-chlorobenzofuro[3,2-d]pyrimidin-4-yl)-N-m...)
Show SMILES CN[C@@H]1CCN(C1)c1ncnc2c3cc(Cl)ccc3oc12 |r|
Show InChI InChI=1S/C15H15ClN4O/c1-17-10-4-5-20(7-10)15-14-13(18-8-19-15)11-6-9(16)2-3-12(11)21-14/h2-3,6,8,10,17H,4-5,7H2,1H3/t10-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294414
PNG
(US9586959, Compound 92)
Show SMILES CN1CCN(CC1)C1=Nc2ncc(Cl)cc2C2OC(C)=NC12 |c:21,t:8|
Show InChI InChI=1S/C15H18ClN5O/c1-9-18-12-13(22-9)11-7-10(16)8-17-14(11)19-15(12)21-5-3-20(2)4-6-21/h7-8,12-13H,3-6H2,1-2H3
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C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294407
PNG
(US9586959, Compound 69 | US9586959, Compound 95)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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n/an/a 44n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361010
PNG
(CHEMBL1935572)
Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccsc1
Show InChI InChI=1S/C17H19N5S/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)
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n/an/a 46n/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361035
PNG
(CHEMBL1935571)
Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1
Show InChI InChI=1S/C17H19N5O/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)
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n/an/a 47n/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294377
PNG
(US9586959, Compound 29)
Show SMILES Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16ClN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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US Patent
n/an/a 49n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294377
PNG
(US9586959, Compound 29)
Show SMILES Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16ClN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294415
PNG
(US9586959, Compound 93)
Show SMILES CNC1CN(C1)c1nc2ncc(Cl)cc2n2nnnc12
Show InChI InChI=1S/C11H11ClN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294368
PNG
(US9586959, Compound 18)
Show SMILES CNC1CN(C1)c1nc2ncc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C12H12ClN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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n/an/a 55n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294408
PNG
(US9586959, Compound 74)
Show SMILES Brc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16BrN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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n/an/a 60n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294416
PNG
(US9586959, Compound 94)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nnnc12
Show InChI InChI=1S/C12H13ClN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3
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n/an/a 62n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294416
PNG
(US9586959, Compound 94)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nnnc12
Show InChI InChI=1S/C12H13ClN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-histamine from recombinant human histamine H4 receptor expressed in CHO-K1 cell membranes measured after 30 mins by microbeta sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294409
PNG
(US9586959, Compound 75)
Show SMILES Ic1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16IN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294366
PNG
(US9586959, Compound 16)
Show SMILES Brc1cnc2nc(N3CCNCC3)c3nncn3c2c1
Show InChI InChI=1S/C12H12BrN7/c13-8-5-9-10(15-6-8)17-11(12-18-16-7-20(9)12)19-3-1-14-2-4-19/h5-7,14H,1-4H2
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C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
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