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BDBM50220855 CHEMBL68059

SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c1c2CCCCCc2nc2ccccc12

InChI Key: InChIKey=ZVFSRULHQKLQJB-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50220855   
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))
BDBM50220855
PNG
(CHEMBL68059)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)26-15-13-25(14-16-26)21-17-9-5-4-6-11-19(17)24-20-12-8-7-10-18(20)21/h7-8,10,12H,4-6,9,11,13-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220855
PNG
(CHEMBL68059)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)26-15-13-25(14-16-26)21-17-9-5-4-6-11-19(17)24-20-12-8-7-10-18(20)21/h7-8,10,12H,4-6,9,11,13-16H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair