BindingDB logo
myBDB logout

BDBM50061774 CHEMBL543436::N'-(2-Chloro-3-ethyl-5-trifluoromethyl-phenyl)-N-(3-ethyl-phenyl)-N-methyl-guanidine; hydrochloride

SMILES: CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1Cl)C(F)(F)F

InChI Key: InChIKey=TWTNJNPDHNXNBW-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 = 50061774   
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))
BDBM50061774
PNG
(CHEMBL543436 | N'-(2-Chloro-3-ethyl-5-trifluoromet...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1Cl)C(F)(F)F
Show InChI InChI=1S/C19H21ClF3N3/c1-4-12-7-6-8-15(9-12)26(3)18(24)25-16-11-14(19(21,22)23)10-13(5-2)17(16)20/h6-11H,4-5H2,1-3H3,(H2,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 115n/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