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BDBM50105091 2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-3-yl]-N-methyl-acetamide::CHEMBL115222

SMILES: CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O

InChI Key: InChIKey=YNPHJHPQIGUKLL-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50105091   
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))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 11n/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))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 11n/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))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 2.10n/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))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 0.900n/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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 19n/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))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 2.10n/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))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 2.12E+3n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 1.93E+3n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105091
PNG
(2-[8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-4-oxo-...)
Show SMILES CNC(=O)CN1CN(c2ccccc2)C2(CCN(Cc3cc4OCOc4cc3Cl)CC2)C1=O
Show InChI InChI=1S/C24H27ClN4O4/c1-26-22(30)14-28-15-29(18-5-3-2-4-6-18)24(23(28)31)7-9-27(10-8-24)13-17-11-20-21(12-19(17)25)33-16-32-20/h2-6,11-12H,7-10,13-16H2,1H3,(H,26,30)
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n/an/a 0.900n/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