BindingDB logo
myBDB logout

BDBM397496 US9994525, Example 11

SMILES: C[C@@H]1CCCN1CCCOc1ccc(OC2CCN(CC2)C(C)=O)cc1

InChI Key: InChIKey=BDDVHFUUXVOMBE-QGZVFWFLSA-N

Data: 1 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 1 hit for monomerid = 397496   
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


(Rattus norvegicus (rat))
BDBM397496
PNG
(US9994525, Example 11)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(OC2CCN(CC2)C(C)=O)cc1 |r|
Show InChI InChI=1S/C21H32N2O3/c1-17-5-3-12-22(17)13-4-16-25-19-6-8-20(9-7-19)26-21-10-14-23(15-11-21)18(2)24/h6-9,17,21H,3-5,10-16H2,1-2H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
30n/an/an/an/an/an/an/an/a



Queen's University



Assay Description
Receptor binding assays were performed in at least 5 concentrations, with two parallel samples in each concentrations, in at least two independent ex...


Bioorg Med Chem 17: 2461-75 (2009)


BindingDB Entry DOI: 10.7270/Q2RN3B6Z
More data for this
Ligand-Target Pair