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SMILES: Cl.O=C(NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)OCC1c2ccccc2-c2ccccc12

InChI Key: InChIKey=DZJMVKKMRDEWDJ-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 2 hits for monomerid = 50491872   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50491872
PNG
(CHEMBL2387332)
Show SMILES Cl.O=C(NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C36H37N3O3/c40-35(25-37-36(41)42-26-34-32-17-9-7-15-30(32)31-16-8-10-18-33(31)34)39(28-13-5-2-6-14-28)29-20-23-38(24-21-29)22-19-27-11-3-1-4-12-27/h1-18,29,34H,19-26H2,(H,37,41)
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50491872
PNG
(CHEMBL2387332)
Show SMILES Cl.O=C(NCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1)OCC1c2ccccc2-c2ccccc12
Show InChI InChI=1S/C36H37N3O3/c40-35(25-37-36(41)42-26-34-32-17-9-7-15-30(32)31-16-8-10-18-33(31)34)39(28-13-5-2-6-14-28)29-20-23-38(24-21-29)22-19-27-11-3-1-4-12-27/h1-18,29,34H,19-26H2,(H,37,41)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair