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BDBM50087698 8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL355202

SMILES: O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23

InChI Key: InChIKey=BBOAHBVXCYBKLC-JOCHJYFZSA-N

Data: 5 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50087698   
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/Orphanin FQ, NOP receptor


(RAT)
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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PC sid
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PubMed
0.410n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat Opioid receptor like 1


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [N-allyl-2-3-3H]-naloxone to membrane of baby hamster kidney cells infected with forest virus encoding the...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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100n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-naloxone from Opioid receptor delta 1


Bioorg Med Chem Lett 9: 2343-8 (1999)


BindingDB Entry DOI: 10.7270/Q2H41TKK
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087698
PNG
(8-(R)-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1Cc2cccc3cccc1c23
Show InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
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UniChem

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100n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition against binding of radioligand [Ile5,6-3H]-deltorphin to membrane from baby hamster kidney cells infected with forest virus encoding the ...


Bioorg Med Chem Lett 10: 831-4 (2000)


BindingDB Entry DOI: 10.7270/Q2N29XG2
More data for this
Ligand-Target Pair