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SMILES: CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1)c1cccc(O)c1

InChI Key: InChIKey=VWSDZLWAIZCEJG-FFGQRACBSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50084133   
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))
BDBM50084133
PNG
(3-[((R)-4-Benzyl-2-benzyloxymethyl-piperazin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C36H42N2O2/c1-36(2,3)32-19-17-30(18-20-32)35(31-15-10-16-34(39)23-31)38-22-21-37(24-28-11-6-4-7-12-28)25-33(38)27-40-26-29-13-8-5-9-14-29/h4-20,23,33,35,39H,21-22,24-27H2,1-3H3/t33-,35?/m1/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes


J Med Chem 42: 5359-68 (2000)


BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50084133
PNG
(3-[((R)-4-Benzyl-2-benzyloxymethyl-piperazin-1-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)C[C@@H]1COCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C36H42N2O2/c1-36(2,3)32-19-17-30(18-20-32)35(31-15-10-16-34(39)23-31)38-22-21-37(24-28-11-6-4-7-12-28)25-33(38)27-40-26-29-13-8-5-9-14-29/h4-20,23,33,35,39H,21-22,24-27H2,1-3H3/t33-,35?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 38n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-deltorphin binding to Opioid receptor delta 1 using rat brain membranes.


J Med Chem 42: 5359-68 (2000)


BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair