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BDBM50331301 (+/-)-7-(Benzyloxy)-3-(3-phenylbenzyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol::CHEMBL1290497

SMILES: OC1CN(Cc2cccc(c2)-c2ccccc2)CCc2cc(OCc3ccccc3)ccc12

InChI Key: InChIKey=FYYPECHDWYQIST-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50331301   
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))
BDBM50331301
PNG
((+/-)-7-(Benzyloxy)-3-(3-phenylbenzyl)-2,3,4,5-tet...)
Show SMILES OC1CN(Cc2cccc(c2)-c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C30H29NO2/c32-30-21-31(20-24-10-7-13-26(18-24)25-11-5-2-6-12-25)17-16-27-19-28(14-15-29(27)30)33-22-23-8-3-1-4-9-23/h1-15,18-19,30,32H,16-17,20-22H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50331301
PNG
((+/-)-7-(Benzyloxy)-3-(3-phenylbenzyl)-2,3,4,5-tet...)
Show SMILES OC1CN(Cc2cccc(c2)-c2ccccc2)CCc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C30H29NO2/c32-30-21-31(20-24-10-7-13-26(18-24)25-11-5-2-6-12-25)17-16-27-19-28(14-15-29(27)30)33-22-23-8-3-1-4-9-23/h1-15,18-19,30,32H,16-17,20-22H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from human recombinant NR1-1a/NR2B receptor expressed in mouse L(tk-) cells after 120 mins by scintillation counting


Bioorg Med Chem 18: 8005-15 (2010)


Article DOI: 10.1016/j.bmc.2010.09.026
BindingDB Entry DOI: 10.7270/Q28W3DJB
More data for this
Ligand-Target Pair