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SMILES: CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1

InChI Key: InChIKey=ZJUIXZLQJIZZJN-UHFFFAOYSA-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 3 hits for monomerid = 321281   
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))
BDBM321281
PNG
(N-[3-(benzylmethylamino)propyl]-3-dimethylaminoben...)
Show SMILES CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-22(2)19-12-7-11-18(15-19)20(24)21-13-8-14-23(3)16-17-9-5-4-6-10-17/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.90n/an/an/an/an/an/an/an/a



UNIVERSITE DE LILLE 2 DROIT ET SANTE; CENTRE HOSPITALIER REGIONAL ET UNIVERSITAIRE DE LILLE (CHRU)

US Patent


Assay Description
The σ binding assays were performed according to Ganapathy et al. (Ganapathy, M. E.; Prasad, P. D.; Huang, W.; Seth, P.; Leibach, F. H.; Ganapat...


US Patent US10179761 (2019)


BindingDB Entry DOI: 10.7270/Q2NV9MBG
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM321281
PNG
(N-[3-(benzylmethylamino)propyl]-3-dimethylaminoben...)
Show SMILES CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-22(2)19-12-7-11-18(15-19)20(24)21-13-8-14-23(3)16-17-9-5-4-6-10-17/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,21,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Displacement of [3H](+)-pentazocine from S1R in human Jurkat cell membranes after 2 hrs by liquid scintillation counting


Eur J Med Chem 138: 964-978 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM321281
PNG
(N-[3-(benzylmethylamino)propyl]-3-dimethylaminoben...)
Show SMILES CN(CCCNC(=O)c1cccc(c1)N(C)C)Cc1ccccc1
Show InChI InChI=1S/C20H27N3O/c1-22(2)19-12-7-11-18(15-19)20(24)21-13-8-14-23(3)16-17-9-5-4-6-10-17/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H,21,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
321n/an/an/an/an/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTG from S2R in human Jurkat cell membranes after 1 hr in presence of (+)-pentazocine by liquid scintillation counting


Eur J Med Chem 138: 964-978 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.014
BindingDB Entry DOI: 10.7270/Q2GT5QQ7
More data for this
Ligand-Target Pair