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BDBM50006750 CHEMBL3236561

SMILES: [H][C@]12CCN[C@@]1([H])CN(C2)c1cc(nc(N)n1)C1CCCC1

InChI Key: InChIKey=WWLWSAHRMZWXPB-YPMHNXCESA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50006750   
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))
BDBM50006750
PNG
(CHEMBL3236561)
Show SMILES [H][C@]12CCN[C@@]1([H])CN(C2)c1cc(nc(N)n1)C1CCCC1 |r|
Show InChI InChI=1S/C15H23N5/c16-15-18-12(10-3-1-2-4-10)7-14(19-15)20-8-11-5-6-17-13(11)9-20/h7,10-11,13,17H,1-6,8-9H2,(H2,16,18,19)/t11-,13+/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.90n/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 expressed in SK-N-MC cells after 45 mins by competition binding analysis


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50006750
PNG
(CHEMBL3236561)
Show SMILES [H][C@]12CCN[C@@]1([H])CN(C2)c1cc(nc(N)n1)C1CCCC1 |r|
Show InChI InChI=1S/C15H23N5/c16-15-18-12(10-3-1-2-4-10)7-14(19-15)20-8-11-5-6-17-13(11)9-20/h7,10-11,13,17H,1-6,8-9H2,(H2,16,18,19)/t11-,13+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human H4 receptor


J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair