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Compile Data Set for Download or QSAR

Found 113 hits Enz. Inhib. hit(s) with all data for entry = 50037490   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159021
PNG
(1-Benzyl-4-chroman-3-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)15-22-10-12-23(13-11-22)16-19-14-20-8-4-5-9-21(20)24-17-19/h1-9,19H,10-17H2
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0.300n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159013
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-15-19(14-20-8-4-5-9-21(20)22)17-24-12-10-23(11-13-24)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2
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0.300n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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0.300n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159009
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1C(CN2CCN(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-20(11-10-19-8-4-5-9-21(19)22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2
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0.400n/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))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.420n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159011
PNG
(4-Benzyl-1-(4-phenyl-butyl)-piperidine | CHEMBL178...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
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0.490n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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0.600n/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))
BDBM50159028
PNG
(1-Benzyl-4-(1,2,3,4-tetrahydro-naphthalen-2-ylmeth...)
Show SMILES C(C1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2/c1-2-6-19(7-3-1)17-23-12-14-24(15-13-23)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-9,20H,10-18H2
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0.800n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159023
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-chroman-4-one | ...)
Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C21H24N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2
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1.20n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159009
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1C(CN2CCN(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-20(11-10-19-8-4-5-9-21(19)22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,20H,10-17H2
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1.40n/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))
BDBM50159029
PNG
(3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
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1.40n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159011
PNG
(4-Benzyl-1-(4-phenyl-butyl)-piperidine | CHEMBL178...)
Show SMILES C(CN1CCC(Cc2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-8-19(9-4-1)12-7-15-22-16-13-21(14-17-22)18-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
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1.40n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159033
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one | ...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C22H25NO2/c24-21-15-19(25-22-9-5-4-8-20(21)22)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2
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1.40n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159014
PNG
(4-Benzyl-1-indan-2-ylmethyl-piperidine | CHEMBL179...)
Show SMILES C(C1Cc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)17-20-15-21-8-4-5-9-22(21)16-20/h1-9,19-20H,10-17H2
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1.40n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159021
PNG
(1-Benzyl-4-chroman-3-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1COc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)15-22-10-12-23(13-11-22)16-19-14-20-8-4-5-9-21(20)24-17-19/h1-9,19H,10-17H2
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1.48n/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))
BDBM50159020
PNG
(4-Benzyl-1-(1,2,3,4-tetrahydro-naphthalen-2-ylmeth...)
Show SMILES C(C1CCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29N/c1-2-6-19(7-3-1)16-20-12-14-24(15-13-20)18-21-10-11-22-8-4-5-9-23(22)17-21/h1-9,20-21H,10-18H2
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1.5n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159013
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C22H26N2O/c25-22-15-19(14-20-8-4-5-9-21(20)22)17-24-12-10-23(11-13-24)16-18-6-2-1-3-7-18/h1-9,19H,10-17H2
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1.59n/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))
BDBM50159028
PNG
(1-Benzyl-4-(1,2,3,4-tetrahydro-naphthalen-2-ylmeth...)
Show SMILES C(C1CCc2ccccc2C1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H28N2/c1-2-6-19(7-3-1)17-23-12-14-24(15-13-23)18-20-10-11-21-8-4-5-9-22(21)16-20/h1-9,20H,10-18H2
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1.70n/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))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159012
PNG
(4-Benzyl-1-chroman-3-ylmethyl-piperidine | CHEMBL1...)
Show SMILES C(C1COc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20/h1-9,19-20H,10-17H2
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2.5n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159020
PNG
(4-Benzyl-1-(1,2,3,4-tetrahydro-naphthalen-2-ylmeth...)
Show SMILES C(C1CCc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H29N/c1-2-6-19(7-3-1)16-20-12-14-24(15-13-20)18-21-10-11-22-8-4-5-9-23(22)17-21/h1-9,20-21H,10-18H2
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2.52n/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))
BDBM50159032
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-chromen-4-one | ...)
Show SMILES O=c1cc(CN2CCN(Cc3ccccc3)CC2)oc2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2
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2.66n/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))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.69n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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3.02n/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))
BDBM50159030
PNG
(3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one | ...)
Show SMILES O=C1C(CN2CCC(Cc3ccccc3)CC2)COc2ccccc12
Show InChI InChI=1S/C22H25NO2/c24-22-19(16-25-21-9-5-4-8-20(21)22)15-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2
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3.38n/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))
BDBM50159005
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1C(CN2CCC(Cc3ccccc3)CC2)CCc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-21(11-10-20-8-4-5-9-22(20)23)17-24-14-12-19(13-15-24)16-18-6-2-1-3-7-18/h1-9,19,21H,10-17H2
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3.38n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
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3.61n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine receptor D2


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))
BDBM50159018
PNG
(1-Benzyl-4-chroman-2-ylmethyl-piperazine | 1-benzy...)
Show SMILES C(C1CCc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
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3.61n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine receptor D2


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))
BDBM50159024
PNG
(4-Benzyl-1-chroman-2-ylmethyl-piperidine | CHEMBL1...)
Show SMILES C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2
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3.61n/an/an/an/an/an/an/an/a



Universit£ di Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Inhibitory constant against Dopamine receptor D2


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))
BDBM50366495
PNG
(CHEMBL1255588)
Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34
Show InChI InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1
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3.61n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159008
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-chromen-4-one | ...)
Show SMILES O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-21-18(16-25-20-9-5-4-8-19(20)21)15-23-12-10-22(11-13-23)14-17-6-2-1-3-7-17/h1-9,16H,10-15H2
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3.80n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159029
PNG
(3-(4-Benzyl-piperidin-1-ylmethyl)-3,4-dihydro-2H-n...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Cc2ccccc12
Show InChI InChI=1S/C23H27NO/c25-23-16-20(15-21-8-4-5-9-22(21)23)17-24-12-10-19(11-13-24)14-18-6-2-1-3-7-18/h1-9,19-20H,10-17H2
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4.63n/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))
BDBM50159023
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-chroman-4-one | ...)
Show SMILES O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C21H24N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,18H,10-16H2
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4.75n/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))
BDBM50159024
PNG
(4-Benzyl-1-chroman-2-ylmethyl-piperidine | CHEMBL1...)
Show SMILES C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2
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4.80n/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))
BDBM50159032
PNG
(2-(4-Benzyl-piperazin-1-ylmethyl)-chromen-4-one | ...)
Show SMILES O=c1cc(CN2CCN(Cc3ccccc3)CC2)oc2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-20-14-18(25-21-9-5-4-8-19(20)21)16-23-12-10-22(11-13-23)15-17-6-2-1-3-7-17/h1-9,14H,10-13,15-16H2
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5.35n/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))
BDBM50159012
PNG
(4-Benzyl-1-chroman-3-ylmethyl-piperidine | CHEMBL1...)
Show SMILES C(C1COc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)16-20-15-21-8-4-5-9-22(21)24-17-20/h1-9,19-20H,10-17H2
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5.98n/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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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6.65n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159033
PNG
(2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one | ...)
Show SMILES O=C1CC(CN2CCC(Cc3ccccc3)CC2)Oc2ccccc12
Show InChI InChI=1S/C22H25NO2/c24-21-15-19(25-22-9-5-4-8-20(21)22)16-23-12-10-18(11-13-23)14-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2
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7.90n/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))
BDBM50159016
PNG
(4-Benzyl-1-(7-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1ccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc2c1
Show InChI InChI=1S/C24H31NO/c1-26-24-10-9-22-8-7-21(16-23(22)17-24)18-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19/h2-6,9-10,17,20-21H,7-8,11-16,18H2,1H3
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9.40n/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
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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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))
BDBM50159016
PNG
(4-Benzyl-1-(7-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1ccc2CCC(CN3CCC(Cc4ccccc4)CC3)Cc2c1
Show InChI InChI=1S/C24H31NO/c1-26-24-10-9-22-8-7-21(16-23(22)17-24)18-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19/h2-6,9-10,17,20-21H,7-8,11-16,18H2,1H3
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11n/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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50159024
PNG
(4-Benzyl-1-chroman-2-ylmethyl-piperidine | CHEMBL1...)
Show SMILES C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2
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11.5n/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))
BDBM50159024
PNG
(4-Benzyl-1-chroman-2-ylmethyl-piperidine | CHEMBL1...)
Show SMILES C(C1CCc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27NO/c1-2-6-18(7-3-1)16-19-12-14-23(15-13-19)17-21-11-10-20-8-4-5-9-22(20)24-21/h1-9,19,21H,10-17H2
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11.6n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159025
PNG
(4-Benzyl-1-(6-methoxy-1,2,3,4-tetrahydro-naphthale...)
Show SMILES COc1ccc2CC(CN3CCC(Cc4ccccc4)CC3)CCc2c1
Show InChI InChI=1S/C24H31NO/c1-26-24-10-9-22-16-21(7-8-23(22)17-24)18-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19/h2-6,9-10,17,20-21H,7-8,11-16,18H2,1H3
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11.9n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50159014
PNG
(4-Benzyl-1-indan-2-ylmethyl-piperidine | CHEMBL179...)
Show SMILES C(C1Cc2ccccc2C1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27N/c1-2-6-18(7-3-1)14-19-10-12-23(13-11-19)17-20-15-21-8-4-5-9-22(21)16-20/h1-9,19-20H,10-17H2
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12.2n/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))
BDBM50159008
PNG
(3-(4-Benzyl-piperazin-1-ylmethyl)-chromen-4-one | ...)
Show SMILES O=c1c(CN2CCN(Cc3ccccc3)CC2)coc2ccccc12
Show InChI InChI=1S/C21H22N2O2/c24-21-18(16-25-20-9-5-4-8-19(20)21)15-23-12-10-22(11-13-23)14-17-6-2-1-3-7-17/h1-9,16H,10-15H2
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14.1n/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))
BDBM50159022
PNG
(1-Benzyl-4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C20H24N2O2/c1-2-6-17(7-3-1)14-21-10-12-22(13-11-21)15-18-16-23-19-8-4-5-9-20(19)24-18/h1-9,18H,10-16H2
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15.4n/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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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16n/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))
BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
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16.2n/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))
BDBM50159015
PNG
(4-Benzyl-1-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethy...)
Show SMILES C(C1COc2ccccc2O1)N1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C21H25NO2/c1-2-6-17(7-3-1)14-18-10-12-22(13-11-18)15-19-16-23-20-8-4-5-9-21(20)24-19/h1-9,18-19H,10-16H2
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17.6n/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
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