BindingDB logo
myBDB logout

null

SMILES: O=C([C@H]1C[C@@H](CN1)Oc1ccccn1)N1CCCN(CC1)C1CCC1

InChI Key: InChIKey=VRAOXZPLTPCXAU-DLBZAZTESA-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 1 hit for monomerid = 50317685   
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))		BDBM50317685
PNG
((4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridi...)
Show SMILES O=C([C@H]1C[C@@H](CN1)Oc1ccccn1)N1CCCN(CC1)C1CCC1 |r|
Show InChI InChI=1S/C19H28N4O2/c24-19(23-10-4-9-22(11-12-23)15-5-3-6-15)17-13-16(14-21-17)25-18-7-1-2-8-20-18/h1-2,7-8,15-17,21H,3-6,9-14H2/t16-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 4.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor

Bioorg Med Chem Lett 20: 2755-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.071
BindingDB Entry DOI: 10.7270/Q2Z60P7S
More data for this
Ligand-Target Pair