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4 similar compounds to monomer 50453307

Compile data set for download or QSAR
Wt: 245.3
BDBM50453312
Wt: 315.4
BDBM50067012
Wt: 349.5
BDBM50159010
Wt: 349.5
BDBM50159031

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50453312,50067012,50159010,50159031   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159031
PNG
(4-Benzyl-1-(5-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-17-21(10-11-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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PubMed
9.90n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159010
PNG
(4-Benzyl-1-(8-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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36.3n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50159010
PNG
(4-Benzyl-1-(8-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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57.2n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159010
PNG
(4-Benzyl-1-(8-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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75n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 2 using 3 nM [3H]ditolylguanidine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159031
PNG
(4-Benzyl-1-(5-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-17-21(10-11-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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83.4n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against sigma receptor type 1 using 3 nM [3H]pentazocine


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50159010
PNG
(4-Benzyl-1-(8-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-11-10-21(17-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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866n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50159031
PNG
(4-Benzyl-1-(5-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-17-21(10-11-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50159031
PNG
(4-Benzyl-1-(5-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1cccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc12
Show InChI InChI=1S/C24H31NO/c1-26-24-9-5-8-22-17-21(10-11-23(22)24)18-25-14-12-20(13-15-25)16-19-6-3-2-4-7-19/h2-9,20-21H,10-18H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone


J Med Chem 48: 266-73 (2005)


Article DOI: 10.1021/jm049433t
BindingDB Entry DOI: 10.7270/Q2JH3MZW
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50453312
PNG
(CHEMBL2079597)
Show SMILES CCCN1CC[C@@H]2[C@@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14+/m0/s1
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1.41E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor with [3H]5-HT


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50453312
PNG
(CHEMBL2079597)
Show SMILES CCCN1CC[C@@H]2[C@@H](Cc3cccc(OC)c23)C1
Show InChI InChI=1S/C16H23NO/c1-3-8-17-9-7-14-13(11-17)10-12-5-4-6-15(18-2)16(12)14/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14+/m0/s1
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4.85E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT binding to 5-hydroxytryptamine 1B receptor


J Med Chem 37: 105-12 (1994)


Article DOI: 10.1021/jm00027a013
BindingDB Entry DOI: 10.7270/Q2ZP46R2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50067012
PNG
(1-[4-(4-Methoxy-indan-1-yl)-butyl]-3,3-dimethyl-pi...)
Show SMILES COc1cccc2C(CCCCN3CCCC(C)(C)C3)CCc12
Show InChI InChI=1S/C21H33NO/c1-21(2)13-7-15-22(16-21)14-5-4-8-17-11-12-19-18(17)9-6-10-20(19)23-3/h6,9-10,17H,4-5,7-8,11-16H2,1-3H3
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n/an/a 9.30n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards sigma 1 receptor by displacing the radioligand [3H]-SKF- 10047 in whole rat brain membrane.


J Med Chem 41: 3940-7 (1998)


Article DOI: 10.1021/jm970692a
BindingDB Entry DOI: 10.7270/Q2NK3D5Q
More data for this
Ligand-Target Pair