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BDBM50105072 8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one::CHEMBL115652

SMILES: Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1

InChI Key: InChIKey=QATNQFJQXRFOHL-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 = 50105072   
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))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 138n/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))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 138n/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
Voltage-gated L-type calcium channel


(Homo sapiens (Human))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 1.11E+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
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 5.70n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 581n/an/an/an/an/an/a



F-59000 Lille

Curated by ChEMBL


Assay Description
Inhibition of sigma 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))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 97n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 2n/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
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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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 D3

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))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 5.70n/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
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50105072
PNG
(8-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-1-phenyl-...)
Show SMILES Clc1cc2OCOc2cc1CN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C21H22ClN3O3/c22-17-11-19-18(27-14-28-19)10-15(17)12-24-8-6-21(7-9-24)20(26)23-13-25(21)16-4-2-1-3-5-16/h1-5,10-11H,6-9,12-14H2,(H,23,26)
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n/an/a 2n/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