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Compile Data Set for Download or QSAR

Found 11 hits of ic50 for monomerid = 50105066   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 2.40n/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))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 2.40n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 2.90n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 2.90n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 117n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 117n/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
Nociceptin receptor


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 283n/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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 556n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against M1 muscarinic receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 663n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of human 5-hydroxytryptamine 7 receptor


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 1.71E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Binding affinity against L-type calcium channel verapamil site


J Med Chem 44: 3391-401 (2001)


BindingDB Entry DOI: 10.7270/Q2057GN9
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50105066
PNG
(1-[1-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-piperi...)
Show SMILES Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1
Show InChI InChI=1S/C21H22ClN3O3/c1-13-2-3-17-18(8-13)25(21(26)23-17)15-4-6-24(7-5-15)11-14-9-19-20(10-16(14)22)28-12-27-19/h2-3,8-10,15H,4-7,11-12H2,1H3,(H,23,26)
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n/an/a 4.92E+3n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of alpha-1 adrenergic receptor


J Med Chem 44: 3391-401 (2001)


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