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BDBM50331302 (+/-)-N-Benzyl-2-[7-(benzyloxy)-1-hydroxy-2,3,4,5-tetrahydro-1H-3-benzazepin-3-yl]-N-methylacetamide::CHEMBL1290606

SMILES: CN(Cc1ccccc1)C(=O)CN1CCc2cc(OCc3ccccc3)ccc2C(O)C1

InChI Key: InChIKey=QFASDCSWFAYCSH-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 = 50331302   
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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50331302
PNG
((+/-)-N-Benzyl-2-[7-(benzyloxy)-1-hydroxy-2,3,4,5-...)
Show SMILES CN(Cc1ccccc1)C(=O)CN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C27H30N2O3/c1-28(17-21-8-4-2-5-9-21)27(31)19-29-15-14-23-16-24(12-13-25(23)26(30)18-29)32-20-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-20H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
377n/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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50331302
PNG
((+/-)-N-Benzyl-2-[7-(benzyloxy)-1-hydroxy-2,3,4,5-...)
Show SMILES CN(Cc1ccccc1)C(=O)CN1CCc2cc(OCc3ccccc3)ccc2C(O)C1
Show InChI InChI=1S/C27H30N2O3/c1-28(17-21-8-4-2-5-9-21)27(31)19-29-15-14-23-16-24(12-13-25(23)26(30)18-29)32-20-22-10-6-3-7-11-22/h2-13,16,26,30H,14-15,17-20H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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