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PubMed code 26360048

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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))		BDBM50127245
PNG
(CHEMBL3628042)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H19ClN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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 253n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127253
PNG
(CHEMBL3629828)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(C)c2)n1
Show InChI InChI=1S/C17H22N6/c1-13-4-3-5-14(12-13)6-7-15-19-16(18)21-17(20-15)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)/b7-6+
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PubMed
 703n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Mus musculus (mouse))		BDBM50127245
PNG
(CHEMBL3628042)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H19ClN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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 854n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from mouse H4 receptor expressed in HEK293 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 1 hr by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127267
PNG
(CHEMBL3628046)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Br)c2)n1
Show InChI InChI=1S/C16H19BrN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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 1.14E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127269
PNG
(CHEMBL3628045)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C16H18Cl2N6/c1-23-6-8-24(9-7-23)16-21-14(20-15(19)22-16)5-3-11-2-4-12(17)13(18)10-11/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22)/b5-3+
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 1.78E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127271
PNG
(CHEMBL3629827)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccccc2C)n1
Show InChI InChI=1S/C17H22N6/c1-13-5-3-4-6-14(13)7-8-15-19-16(18)21-17(20-15)23-11-9-22(2)10-12-23/h3-8H,9-12H2,1-2H3,(H2,18,19,20,21)/b8-7+
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 2.23E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127264
PNG
(CHEMBL3628048)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C17H19F3N6/c1-25-7-9-26(10-8-25)16-23-14(22-15(21)24-16)6-5-12-3-2-4-13(11-12)17(18,19)20/h2-6,11H,7-10H2,1H3,(H2,21,22,23,24)/b6-5+
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 2.45E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127259
PNG
(CHEMBL3628052)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2c[nH]c3ccccc23)n1
Show InChI InChI=1S/C18H21N7/c1-24-8-10-25(11-9-24)18-22-16(21-17(19)23-18)7-6-13-12-20-15-5-3-2-4-14(13)15/h2-7,12,20H,8-11H2,1H3,(H2,19,21,22,23)/b7-6+
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 2.53E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127262
PNG
(CHEMBL3628050)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C16H19N7O2/c1-21-7-9-22(10-8-21)16-19-14(18-15(17)20-16)6-5-12-3-2-4-13(11-12)23(24)25/h2-6,11H,7-10H2,1H3,(H2,17,18,19,20)/b6-5+
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 2.57E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127263
PNG
(CHEMBL3628049)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(c2)C#N)n1
Show InChI InChI=1S/C17H19N7/c1-23-7-9-24(10-8-23)17-21-15(20-16(19)22-17)6-5-13-3-2-4-14(11-13)12-18/h2-6,11H,7-10H2,1H3,(H2,19,20,21,22)/b6-5+
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 2.64E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127265
PNG
(CHEMBL3628047)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(F)c2)n1
Show InChI InChI=1S/C16H19FN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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 3.52E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127260
PNG
(CHEMBL3628051)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc3ccccc3c2)n1
Show InChI InChI=1S/C20H22N6/c1-25-10-12-26(13-11-25)20-23-18(22-19(21)24-20)9-7-15-6-8-16-4-2-3-5-17(16)14-15/h2-9,14H,10-13H2,1H3,(H2,21,22,23,24)/b9-7+
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 3.79E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127272
PNG
(CHEMBL3628043)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H19ClN6/c1-22-8-10-23(11-9-22)16-20-14(19-15(18)21-16)7-4-12-2-5-13(17)6-3-12/h2-7H,8-11H2,1H3,(H2,18,19,20,21)/b7-4+
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 4.21E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127266
PNG
(CHEMBL3628041)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccccc2Cl)n1
Show InChI InChI=1S/C16H19ClN6/c1-22-8-10-23(11-9-22)16-20-14(19-15(18)21-16)7-6-12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H2,18,19,20,21)/b7-6+
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 4.86E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127273
PNG
(CHEMBL3629826)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C16H20N6/c1-21-9-11-22(12-10-21)16-19-14(18-15(17)20-16)8-7-13-5-3-2-4-6-13/h2-8H,9-12H2,1H3,(H2,17,18,19,20)/b8-7+
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PubMed
 5.21E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127270
PNG
(CHEMBL3628044)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(Cl)cc2Cl)n1
Show InChI InChI=1S/C16H18Cl2N6/c1-23-6-8-24(9-7-23)16-21-14(20-15(19)22-16)5-3-11-2-4-12(17)10-13(11)18/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22)/b5-3+
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 9.04E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127261
PNG
(CHEMBL3627724)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc3ccccc23)n1
Show InChI InChI=1S/C20H22N6/c1-25-11-13-26(14-12-25)20-23-18(22-19(21)24-20)10-9-16-7-4-6-15-5-2-3-8-17(15)16/h2-10H,11-14H2,1H3,(H2,21,22,23,24)/b10-9+
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 3.00E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127268
PNG
(CHEMBL3629829)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2ccc(C)cc2)n1
Show InChI InChI=1S/C17H22N6/c1-13-3-5-14(6-4-13)7-8-15-19-16(18)21-17(20-15)23-11-9-22(2)10-12-23/h3-8H,9-12H2,1-2H3,(H2,18,19,20,21)/b8-7+
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 3.74E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 after 60 mins by liquid ...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP3A4 assessed as conversion of luciferin-PPXE to D-luciferin by luminescence Glo assay

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127245
PNG
(CHEMBL3628042)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H19ClN6/c1-22-7-9-23(10-8-22)16-20-14(19-15(18)21-16)6-5-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H2,18,19,20,21)/b6-5+
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n/an/a 439n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human H4R expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by TR-FRET immuno...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50127253
PNG
(CHEMBL3629828)
Show SMILES CN1CCN(CC1)c1nc(N)nc(\C=C\c2cccc(C)c2)n1
Show InChI InChI=1S/C17H22N6/c1-13-4-3-5-14(12-13)6-7-15-19-16(18)21-17(20-15)23-10-8-22(2)9-11-23/h3-7,12H,8-11H2,1-2H3,(H2,18,19,20,21)/b7-6+
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n/an/a 606n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human H4R expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by TR-FRET immuno...

Eur J Med Chem 103: 238-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.08.014
BindingDB Entry DOI: 10.7270/Q25M67JQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%