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BDBM50466971 CHEMBL4281185

SMILES: CCCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O

InChI Key: InChIKey=QKYSRCYCMFDPEH-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50466971   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50466971
PNG
(CHEMBL4281185)
Show SMILES CCCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
Show InChI InChI=1S/C20H30Cl2N2O/c1-3-4-5-10-24(16(2)25)14-17-8-11-23(12-9-17)15-18-6-7-19(21)13-20(18)22/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
187n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in rat liver membranes after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 28: 3206-3209 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.016
BindingDB Entry DOI: 10.7270/Q2QN69FH
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50466971
PNG
(CHEMBL4281185)
Show SMILES CCCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O
Show InChI InChI=1S/C20H30Cl2N2O/c1-3-4-5-10-24(16(2)25)14-17-8-11-23(12-9-17)15-18-6-7-19(21)13-20(18)22/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
3.20E+3n/an/an/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from sigma2 receptor in rat liver membranes after 120 mins by liquid scintillation counting


Bioorg Med Chem Lett 28: 3206-3209 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.016
BindingDB Entry DOI: 10.7270/Q2QN69FH
More data for this
Ligand-Target Pair