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BDBM50087022 8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL28172

SMILES: O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1

InChI Key: InChIKey=CQRVSNCDRSTFOM-UHFFFAOYSA-N

Data: 4 KI  1 EC50

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 5 hits for monomerid = 50087022   
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))
BDBM50087022
PNG
(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
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PubMed
2.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

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)


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


(Homo sapiens (Human))
BDBM50087022
PNG
(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
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26n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

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)


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


(Homo sapiens (Human))
BDBM50087022
PNG
(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
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161n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

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)


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


(Homo sapiens (Human))
BDBM50087022
PNG
(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
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710n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

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)


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


(Homo sapiens (Human))
BDBM50087022
PNG
(8-Indan-2-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC1)C1Cc2ccccc2C1
Show InChI InChI=1S/C22H25N3O/c26-21-22(25(16-23-21)19-8-2-1-3-9-19)10-12-24(13-11-22)20-14-17-6-4-5-7-18(17)15-20/h1-9,20H,10-16H2,(H,23,26)
PDB

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PubMed
n/an/an/an/a 500n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Effective concentration required to stimulate binding of GTPgammaS to Opioid receptor like 1 was determined using scintillation proximity assay


J Med Chem 43: 1329-38 (2001)


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