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BDBM50121205 CHEBI:18295::HISTAMINE::Histamine

SMILES: NCCc1c[nH]cn1

InChI Key: InChIKey=NTYJJOPFIAHURM-UHFFFAOYSA-N

Data: 12 KI  6 EC50

PDB links: 14 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50121205   
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


(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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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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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
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
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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n/an/an/an/a 7.90n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine 4 receptor expressed in Sf9 cell membranes co-expressing Galphai2 and Gbeta1gamma2 assessed as [35S]GTPgammaS ...


Bioorg Med Chem Lett 26: 292-300 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.035
BindingDB Entry DOI: 10.7270/Q2Z03B0K
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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n/an/an/an/a 11n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
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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n/an/an/an/a 13n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in sf9 cell membrane co-expressing mammalian Galphai2 and Gbeta1gamma2 incubated for 90 min...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
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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n/an/an/an/a 190n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 or RGS9 assessed as increase in 32Pi level incubate...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
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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n/an/an/an/a 13n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incu...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
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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n/an/an/an/a 94n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at mouse SF-His6-tagged histamine H4 receptor expressed in HEK293 cells assessed as inhibition of forskolin-stimulated response incu...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
Histamine H3 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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10n/an/an/an/an/an/an/an/a



The James Black Foundation

Curated by ChEMBL


Assay Description
Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig ileum LMMP homogenates


Bioorg Med Chem Lett 9: 1825-30 (1999)


Article DOI: 10.1016/s0960-894x(99)00272-3
More data for this
Ligand-Target Pair
Histamine H3 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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0.145n/an/an/an/an/an/an/an/a



The James Black Foundation

Curated by ChEMBL


Assay Description
Binding affinity towards histamine H3 receptor using [3H](R)-alpha-methylhistamine as radioligand in guinea pig cortical homogenates


Bioorg Med Chem Lett 9: 1825-30 (1999)


Article DOI: 10.1016/s0960-894x(99)00272-3
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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13n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 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
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)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair