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SMILES: O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1

InChI Key: InChIKey=IWTNZBURNLPQET-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 4 hits for monomerid = 50204786   
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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50204786
PNG
(1-phenyl-8-thiophen-3-ylmethyl-1,3,8-triaza-spiro[...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
Show InChI InChI=1S/C18H21N3OS/c22-17-18(21(14-19-17)16-4-2-1-3-5-16)7-9-20(10-8-18)12-15-6-11-23-13-15/h1-6,11,13H,7-10,12,14H2,(H,19,22)
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204786
PNG
(1-phenyl-8-thiophen-3-ylmethyl-1,3,8-triaza-spiro[...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
Show InChI InChI=1S/C18H21N3OS/c22-17-18(21(14-19-17)16-4-2-1-3-5-16)7-9-20(10-8-18)12-15-6-11-23-13-15/h1-6,11,13H,7-10,12,14H2,(H,19,22)
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26n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50204786
PNG
(1-phenyl-8-thiophen-3-ylmethyl-1,3,8-triaza-spiro[...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
Show InChI InChI=1S/C18H21N3OS/c22-17-18(21(14-19-17)16-4-2-1-3-5-16)7-9-20(10-8-18)12-15-6-11-23-13-15/h1-6,11,13H,7-10,12,14H2,(H,19,22)
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PubMed
133n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50204786
PNG
(1-phenyl-8-thiophen-3-ylmethyl-1,3,8-triaza-spiro[...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccsc2)CC1
Show InChI InChI=1S/C18H21N3OS/c22-17-18(21(14-19-17)16-4-2-1-3-5-16)7-9-20(10-8-18)12-15-6-11-23-13-15/h1-6,11,13H,7-10,12,14H2,(H,19,22)
PDB

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Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 2281-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.069
BindingDB Entry DOI: 10.7270/Q2T43SRZ
More data for this
Ligand-Target Pair