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BDBM50419582 CHEMBL1934064

SMILES: COc1ccc(OCCC[C@@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1

InChI Key: InChIKey=DXSIMOWQSIWUHR-NDOVKIIASA-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 = 50419582   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50419582
PNG
(CHEMBL1934064)
Show SMILES COc1ccc(OCCC[C@@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C34H44N2O2/c1-27-8-6-24-36(27)34(9-7-25-38-33-20-18-32(37-2)19-21-33)31-16-14-30(15-17-31)29-12-10-28(11-13-29)26-35-22-4-3-5-23-35/h10-21,27,34H,3-9,22-26H2,1-2H3/t27-,34+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419582
PNG
(CHEMBL1934064)
Show SMILES COc1ccc(OCCC[C@@H](N2CCC[C@@H]2C)c2ccc(cc2)-c2ccc(CN3CCCCC3)cc2)cc1 |r|
Show InChI InChI=1S/C34H44N2O2/c1-27-8-6-24-36(27)34(9-7-25-38-33-20-18-32(37-2)19-21-33)31-16-14-30(15-17-31)29-12-10-28(11-13-29)26-35-22-4-3-5-23-35/h10-21,27,34H,3-9,22-26H2,1-2H3/t27-,34+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.61n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair