new BindingDB logo
myBDB logout

BDBM50105089 8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL326962

SMILES: O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1

InChI Key: InChIKey=HWOUIMXZGKRMNK-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 50105089   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of ligand binding to human delta opioid receptor.


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.19E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against delta-opiate receptor (human) using [3H]-DPDPE radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 56n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 using [3H]- U-69,593 radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu-opiate receptor (human) using [3H]DAMGO radioligand


J Med Chem 44: 3378-90 (2001)


BindingDB Entry DOI: 10.7270/Q23X87B8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 17n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against mu opiate receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 947n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D4.4


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 160n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D3


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 340n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human ORL1 orphanin receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 56n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against opioid receptor kappa 1 by using [3H]U-69593 as radioligand


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50105089
PNG
(8-Benzo[1,3]dioxol-5-ylmethyl-1-phenyl-1,3,8-triaz...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H23N3O3/c25-20-21(24(14-22-20)17-4-2-1-3-5-17)8-10-23(11-9-21)13-16-6-7-18-19(12-16)27-15-26-18/h1-7,12H,8-11,13-15H2,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 557n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human dopamine receptor D2


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair