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BDBM50433357 CHEMBL2376800

SMILES: CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC

InChI Key: InChIKey=PREVTMRNRJIUDH-UHFFFAOYSA-N

Data: 4 KI

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 = 50433357   
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


(Mus musculus (mouse))
BDBM50433357
PNG
(CHEMBL2376800)
Show SMILES CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
Show InChI InChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)
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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
50n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Binding affinity to mouse histamine H4 receptor


Bioorg Med Chem Lett 23: 2663-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.091
BindingDB Entry DOI: 10.7270/Q2K35W11
More data for this
Ligand-Target Pair
Histamine H4 Receptor


(Rattus norvegicus (rat))
BDBM50433357
PNG
(CHEMBL2376800)
Show SMILES CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
Show InChI InChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
71n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H4 receptor


Bioorg Med Chem Lett 23: 2663-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.091
BindingDB Entry DOI: 10.7270/Q2K35W11
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50433357
PNG
(CHEMBL2376800)
Show SMILES CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
Show InChI InChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.41E+4n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H2 receptor expressed in HEK cells


Bioorg Med Chem Lett 23: 2663-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.091
BindingDB Entry DOI: 10.7270/Q2K35W11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50433357
PNG
(CHEMBL2376800)
Show SMILES CCc1cnc2c(nc(N)nc2c1)N1CC(C1)NC
Show InChI InChI=1S/C13H18N6/c1-3-8-4-10-11(16-5-8)12(18-13(14)17-10)19-6-9(7-19)15-2/h4-5,9,15H,3,6-7H2,1-2H3,(H2,14,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.39E+4n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H1 receptor expressed in HEK cells


Bioorg Med Chem Lett 23: 2663-70 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.091
BindingDB Entry DOI: 10.7270/Q2K35W11
More data for this
Ligand-Target Pair