BindingDB logo
myBDB logout

null

SMILES: CCN(Cc1ccccc1)[C@H]1CC[C@]2(CC1)OC(Cc1ccccc21)OC

InChI Key: InChIKey=ICNREZSCROYFDM-IQEXNZJNSA-N

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 = 50344437   
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


(Cavia porcellus (Guinea pig))		BDBM50344437
PNG
(CHEMBL1780001 | cis-N-Benzyl-N-ethyl-3-methoxy-3,4...)
Show SMILES CCN(Cc1ccccc1)[C@H]1CC[C@]2(CC1)OC(Cc1ccccc21)OC |r,wU:10.10,13.17,(16.51,-23.15,;17.85,-23.92,;19.18,-23.15,;19.18,-21.61,;20.52,-20.83,;21.85,-21.61,;23.19,-20.83,;23.19,-19.29,;21.84,-18.52,;20.51,-19.29,;20.53,-23.92,;21.29,-22.56,;22.93,-23.19,;24.2,-22.77,;23.43,-24.12,;21.72,-23.5,;24.2,-21.24,;25.53,-20.47,;26.87,-21.24,;26.86,-22.78,;28.18,-23.54,;28.18,-25.06,;26.85,-25.84,;25.53,-25.06,;25.53,-23.54,;25.54,-18.92,;26.88,-18.16,)|
Show InChI InChI=1S/C24H31NO2/c1-3-25(18-19-9-5-4-6-10-19)21-13-15-24(16-14-21)22-12-8-7-11-20(22)17-23(26-2)27-24/h4-12,21,23H,3,13-18H2,1-2H3/t21-,23?,24+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 107n/an/an/an/an/an/an/an/a



Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer

Bioorg Med Chem 19: 3141-51 (2011)


Article DOI: 10.1016/j.bmc.2011.04.002
BindingDB Entry DOI: 10.7270/Q2D21XXP
More data for this
Ligand-Target Pair