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SMILES: CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1

InChI Key: InChIKey=AOUFPRQIPFCXPL-UHFFFAOYSA-N

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 4 hits for monomerid = 50021529   
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))
BDBM50021529
PNG
(CHEMBL3290578)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
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Article
PubMed
520n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Palermo

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R expressed in Sf9 cell membranes co-expressed with G protein Gai2 and Gb1gamma2 incubated for 60 mins by ...


Eur J Med Chem 142: 523-549 (2017)


Article DOI: 10.1016/j.ejmech.2017.09.035
BindingDB Entry DOI: 10.7270/Q2HH6NRF
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50021529
PNG
(CHEMBL3290578)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
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Article
PubMed
524n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from human histamine H4 receptor expressed in insect Sf9 cell membrane co-expressing Galphai2/Gbeta1gamma2 subunits af...


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50021529
PNG
(CHEMBL3290578)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
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Article
PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membrane after 90 mins


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50021529
PNG
(CHEMBL3290578)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C14H17BrN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor expressed in gamma-irradiated recombinant CHO cells assessed as inhibition of forskolin/histamine-...


Eur J Med Chem 83: 534-46 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.032
BindingDB Entry DOI: 10.7270/Q2W097HQ
More data for this
Ligand-Target Pair