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BDBM50514093 CHEMBL4468827

SMILES: Cc1cc(nc(N)n1)N1CC(N)C1

InChI Key: InChIKey=NNRWOZRAHOUFDJ-UHFFFAOYSA-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50514093   
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 H3 receptor


(Homo sapiens (Human))
BDBM50514093
PNG
(CHEMBL4468827)
Show SMILES Cc1cc(nc(N)n1)N1CC(N)C1
Show InChI InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50514093
PNG
(CHEMBL4468827)
Show SMILES Cc1cc(nc(N)n1)N1CC(N)C1
Show InChI InChI=1S/C8H13N5/c1-5-2-7(12-8(10)11-5)13-3-6(9)4-13/h2,6H,3-4,9H2,1H3,(H2,10,11,12)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 16n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
More data for this
Ligand-Target Pair