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BDBM50087690 8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL354065

SMILES: O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1

InChI Key: InChIKey=PKXNDSOXWCRAIK-SZPZYZBQSA-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 = 50087690   
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)
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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1.5n/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))
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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1.5n/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))
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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29n/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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50087690
PNG
(8-Bicyclohexyl-4-yl-1-phenyl-1,3,8-triaza-spiro[4....)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)[C@@H]1CC[C@@H](CC1)C1CCCCC1 |wU:17.19,20.26,(14.26,-1.31,;14.73,-2.76,;16.19,-3.25,;16.19,-4.79,;14.72,-5.26,;14.26,-6.7,;12.74,-7.03,;12.27,-8.49,;13.3,-9.64,;14.8,-9.32,;15.28,-7.85,;13.82,-4.01,;13.07,-2.67,;11.53,-2.68,;10.76,-4.02,;11.53,-5.34,;13.07,-5.34,;9.22,-4.02,;8.45,-2.69,;6.91,-2.69,;6.14,-4.02,;6.91,-5.35,;8.47,-5.35,;4.6,-4.01,;3.85,-5.35,;2.29,-5.34,;1.54,-4,;2.31,-2.67,;3.85,-2.68,)|
Show InChI InChI=1S/C25H37N3O/c29-24-25(28(19-26-24)23-9-5-2-6-10-23)15-17-27(18-16-25)22-13-11-21(12-14-22)20-7-3-1-4-8-20/h2,5-6,9-10,20-22H,1,3-4,7-8,11-19H2,(H,26,29)/t21-,22+
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330n/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