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BDBM133906 US8846929, 79

SMILES: OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O

InChI Key: InChIKey=WTSCBGVEFWRHQA-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 133906   
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
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM133906
PNG
(US8846929, 79)
Show SMILES OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1/C25H36N4O4/c30-17-20(31)16-26-24(32)23-25(33)29(22-11-7-6-10-21(22)27-23)19-12-14-28(15-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-20,30-31H,1-5,8-9,12-17H2,(H,26,32)
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
51n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM133906
PNG
(US8846929, 79)
Show SMILES OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1/C25H36N4O4/c30-17-20(31)16-26-24(32)23-25(33)29(22-11-7-6-10-21(22)27-23)19-12-14-28(15-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-20,30-31H,1-5,8-9,12-17H2,(H,26,32)
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

US Patent
994n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM133906
PNG
(US8846929, 79)
Show SMILES OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1/C25H36N4O4/c30-17-20(31)16-26-24(32)23-25(33)29(22-11-7-6-10-21(22)27-23)19-12-14-28(15-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-20,30-31H,1-5,8-9,12-17H2,(H,26,32)
PDB

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US Patent
2.73E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM133906
PNG
(US8846929, 79)
Show SMILES OCC(O)CNC(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1/C25H36N4O4/c30-17-20(31)16-26-24(32)23-25(33)29(22-11-7-6-10-21(22)27-23)19-12-14-28(15-13-19)18-8-4-2-1-3-5-9-18/h6-7,10-11,18-20,30-31H,1-5,8-9,12-17H2,(H,26,32)
PDB

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UniProtKB/SwissProt

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UniChem

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US Patent
2.10E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair