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BDBM50087016 8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL281274::Ro65-6570

SMILES: O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23

InChI Key: InChIKey=BBOAHBVXCYBKLC-UHFFFAOYSA-N

Data: 8 KI  2 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50087016   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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0.520n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Competitive binding affinity against transfected HEK293 cells expressing human Opioid receptor like 1


J Med Chem 43: 1329-38 (2001)


Article DOI: 10.1021/jm991129q
BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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2.51n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1007/s002100000327
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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5.90n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor mu 1


J Med Chem 43: 1329-38 (2001)


Article DOI: 10.1021/jm991129q
BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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12.9n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1007/s002100000327
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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26n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing Opioid receptor kappa 1


J Med Chem 43: 1329-38 (2001)


Article DOI: 10.1021/jm991129q
BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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148n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1007/s002100000327
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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250n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Competitive binding displacement analyses was performed from permanently transfected HEK293 cells expressing human Opioid receptor delta 1


J Med Chem 43: 1329-38 (2001)


Article DOI: 10.1021/jm991129q
BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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302n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1007/s002100000327
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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n/an/an/an/a 2.50E+3n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Effective concentration of the required to stimulate binding of GTPgammaS to mu1 receptor was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


Article DOI: 10.1021/jm991129q
BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50087016
PNG
(8-Acenaphthen-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2cccc3cccc1c23
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)
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n/an/an/an/a 40n/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to ORL1 receptor was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


Article DOI: 10.1021/jm991129q
BindingDB Entry DOI: 10.7270/Q2ZG6SZG
More data for this
Ligand-Target Pair