BindingDB logo
myBDB logout

BDBM50401380 CHEMBL2205828

SMILES: COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1

InChI Key: InChIKey=QUMVESOWCHBEEV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50401380   
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


(RAT)		BDBM50401380
PNG
(CHEMBL2205828)
Show SMILES COc1cc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc(OC)c1 |TLB:7:18:9.10:16,12:14:9.10:16,THB:8:9:18.14:16,17:18:8.11:6,9:8:18.14:6,11:10:18.14:16,15:14:8.11:6,10:11:18.14:6,5:6:8.11:18.14|
Show InChI InChI=1S/C20H23NO3/c1-23-9-3-8(4-10(5-9)24-2)7-21-19-15-11-6-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h3-5,11-19,22H,6-7H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 610n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor

Bioorg Med Chem Lett 22: 6053-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.046
BindingDB Entry DOI: 10.7270/Q2KH0PGM
More data for this
Ligand-Target Pair