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PubMed code 25993395

Compile data set for download or QSAR
Found 19 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))
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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2.40n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
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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4.5n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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4.80n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Mus musculus (mouse))
BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


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


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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6n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
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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6.20n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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8n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


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


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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12n/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


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
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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12n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from rat histamine H4 receptor expressed in HEK293T cells


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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16n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor (unknown origin)


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Mus musculus (mouse))
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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21n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from mouse histamine H4 receptor expressed in HEK293T cells


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Mus musculus (mouse))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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42n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to mouse histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
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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123n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from guinea pig histamine H4 receptor expressed in HEK293T cells


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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136n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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188n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


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


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(GUINEA PIG)
BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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306n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


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


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356889
PNG
(CHEMBL1915532)
Show SMILES CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
Show InChI InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)
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2.11E+3n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H4 receptor


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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5.00E+3n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor (unknown origin)


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | HISTAMINE | 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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6.00E+3n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


J Med Chem 58: 7119-27 (2015)


BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%