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BDBM50061754 CHEMBL542487::N-(2-Chloro-3,5-diethyl-phenyl)-N'-(3-ethyl-phenyl)-guanidine; hydrochloride

SMILES: CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2Cl)c1

InChI Key: InChIKey=RQMYBXKTIIXZPQ-UHFFFAOYSA-N

Data: 1 IC50

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 = 50061754   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061754
PNG
(CHEMBL542487 | N-(2-Chloro-3,5-diethyl-phenyl)-N'-...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2Cl)c1 |w:10.10|
Show InChI InChI=1S/C19H24ClN3/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20/h7-12H,4-6H2,1-3H3,(H3,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair