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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'debreu-fontaine' and Initial = 'ma'   
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))
BDBM50172914
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-3-thioxo-2,3,10,10a...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=S)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3OS/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 0.900n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
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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n/an/a 2.10n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.10n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172886
PNG
((S)-2-[3-(Methyl-phenethyl-amino)-propyl]-10,10a-d...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-24(15-12-18-8-3-2-4-9-18)13-7-14-25-22(27)21-16-19-10-5-6-11-20(19)17-26(21)23(25)28/h2-6,8-11,27H,7,12-17H2,1H3
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Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172884
PNG
((S)-2-(1-Benzyl-piperidin-4-yl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C23H25N3O2/c27-22-21-14-18-8-4-5-9-19(18)16-25(21)23(28)26(22)20-10-12-24(13-11-20)15-17-6-2-1-3-7-17/h1-9,20,27H,10-16H2
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n/an/a 2.40n/an/an/an/a7.522



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172874
PNG
((S)-2-{2-[Methyl-(5-phenyl-pentyl)-amino]-ethyl}-1...)
Show SMILES CN(CCCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C25H31N3O2/c1-26(15-9-3-6-12-20-10-4-2-5-11-20)16-17-27-24(29)23-18-21-13-7-8-14-22(21)19-28(23)25(27)30/h2,4-5,7-8,10-11,13-14,29H,3,6,9,12,15-19H2,1H3
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n/an/a 2.90n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172869
PNG
((S)-2-{2-[Methyl-(4-phenyl-butyl)-amino]-ethyl}-10...)
Show SMILES CN(CCCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C24H29N3O2/c1-25(14-8-7-11-19-9-3-2-4-10-19)15-16-26-23(28)22-17-20-12-5-6-13-21(20)18-27(22)24(26)29/h2-6,9-10,12-13,28H,7-8,11,14-18H2,1H3
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n/an/a 3.20n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172868
PNG
((S)-2-(3-(benzyl(methyl)amino)propyl)-10,10a-dihyd...)
Show SMILES CN(CCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-23(15-17-8-3-2-4-9-17)12-7-13-24-21(26)20-14-18-10-5-6-11-19(18)16-25(20)22(24)27/h2-6,8-11,26H,7,12-16H2,1H3
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n/an/a 3.90n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172875
PNG
((S)-2-[4-(Benzyl-methyl-amino)-butyl]-10,10a-dihyd...)
Show SMILES CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C23H27N3O2/c1-24(16-18-9-3-2-4-10-18)13-7-8-14-25-22(27)21-15-19-11-5-6-12-20(19)17-26(21)23(25)28/h2-6,9-12,27H,7-8,13-17H2,1H3
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n/an/a 4.20n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172881
PNG
((S)-2-[2-(Benzyl-methyl-amino)-ethyl]-10,10a-dihyd...)
Show SMILES CN(CCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C21H23N3O2/c1-22(14-16-7-3-2-4-8-16)11-12-23-20(25)19-13-17-9-5-6-10-18(17)15-24(19)21(23)26/h2-10,25H,11-15H2,1H3
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n/an/a 4.5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172880
PNG
((S)-2-[5-(Benzyl-methyl-amino)-pentyl]-10,10a-dihy...)
Show SMILES CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-25(17-19-10-4-2-5-11-19)14-8-3-9-15-26-23(28)22-16-20-12-6-7-13-21(20)18-27(22)24(26)29/h2,4-7,10-13,28H,3,8-9,14-18H2,1H3
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n/an/a 5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172877
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 6.60n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123594
PNG
((7-Chloro-quinolin-4-yl)-{3-[4-(3-dibutylamino-pro...)
Show SMILES CCCCN(CCCC)CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C27H44ClN5/c1-3-5-14-31(15-6-4-2)17-8-18-33-21-19-32(20-22-33)16-7-12-29-26-11-13-30-27-23-24(28)9-10-25(26)27/h9-11,13,23H,3-8,12,14-22H2,1-2H3,(H,29,30)
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n/an/a 6.70n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172887
PNG
((S)-2-[6-(Benzyl-methyl-amino)-hexyl]-10,10a-dihyd...)
Show SMILES CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)Cc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-26(18-20-11-5-4-6-12-20)15-9-2-3-10-16-27-24(29)23-17-21-13-7-8-14-22(21)19-28(23)25(27)30/h4-8,11-14,29H,2-3,9-10,15-19H2,1H3
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n/an/a 9.40n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172871
PNG
((S)-2-(3-Benzylamino-propyl)-10,10a-dihydro-5H-imi...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCc1ccccc1
Show InChI InChI=1S/C21H23N3O2/c25-20-19-13-17-9-4-5-10-18(17)15-24(19)21(26)23(20)12-6-11-22-14-16-7-2-1-3-8-16/h1-5,7-10,22,25H,6,11-15H2
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n/an/a 9.60n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172876
PNG
((S)-2-[4-(Methyl-phenethyl-amino)-butyl]-10,10a-di...)
Show SMILES CN(CCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c1-25(16-13-19-9-3-2-4-10-19)14-7-8-15-26-23(28)22-17-20-11-5-6-12-21(20)18-27(22)24(26)29/h2-6,9-12,28H,7-8,13-18H2,1H3
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n/an/a 9.90n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172873
PNG
((S)-2-[3-(4-Phenyl-butylamino)-propyl]-10,10a-dihy...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNCCCCc1ccccc1
Show InChI InChI=1S/C24H29N3O2/c28-23-22-17-20-12-4-5-13-21(20)18-27(22)24(29)26(23)16-8-15-25-14-7-6-11-19-9-2-1-3-10-19/h1-5,9-10,12-13,25,28H,6-8,11,14-18H2
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n/an/a 10.5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172893
PNG
((S)-2-[5-(Methyl-phenethyl-amino)-pentyl]-10,10a-d...)
Show SMILES CN(CCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C25H31N3O2/c1-26(17-14-20-10-4-2-5-11-20)15-8-3-9-16-27-24(29)23-18-21-12-6-7-13-22(21)19-28(23)25(27)30/h2,4-7,10-13,29H,3,8-9,14-19H2,1H3
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n/an/a 11.7n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172867
PNG
((S)-2-[2-(Methyl-phenethyl-amino)-ethyl]-10,10a-di...)
Show SMILES CN(CCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C22H25N3O2/c1-23(12-11-17-7-3-2-4-8-17)13-14-24-21(26)20-15-18-9-5-6-10-19(18)16-25(20)22(24)27/h2-10,26H,11-16H2,1H3
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n/an/a 12.6n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172888
PNG
((S)-2-{2-[Methyl-(3-phenyl-propyl)-amino]-ethyl}-1...)
Show SMILES CN(CCCc1ccccc1)CCn1c(O)c2Cc3ccccc3Cn2c1=O
Show InChI InChI=1S/C23H27N3O2/c1-24(13-7-10-18-8-3-2-4-9-18)14-15-25-22(27)21-16-19-11-5-6-12-20(19)17-26(21)23(25)28/h2-6,8-9,11-12,27H,7,10,13-17H2,1H3
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n/an/a 13.6n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123579
PNG
(CHEMBL345958 | [3-(4-{3-[Bis-(4-nitro-benzyl)-amin...)
Show SMILES [O-][N+](=O)c1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C33H38ClN7O4/c34-28-7-12-31-32(13-15-36-33(31)23-28)35-14-1-16-37-19-21-38(22-20-37)17-2-18-39(24-26-3-8-29(9-4-26)40(42)43)25-27-5-10-30(11-6-27)41(44)45/h3-13,15,23H,1-2,14,16-22,24-25H2,(H,35,36)
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n/an/a 15n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172877
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 16n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172877
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-10,10a-dihydro-5H-i...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-12-14-6-2-3-7-15(14)13-21(16)18(23)20(17)11-10-19-8-4-1-5-9-19/h2-3,6-7,22H,1,4-5,8-13H2
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n/an/a 16n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172879
PNG
((S)-2-(3-Piperidin-1-yl-propyl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C19H25N3O2/c23-18-17-13-15-7-2-3-8-16(15)14-22(17)19(24)21(18)12-6-11-20-9-4-1-5-10-20/h2-3,7-8,23H,1,4-6,9-14H2
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n/an/a 21.5n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172879
PNG
((S)-2-(3-Piperidin-1-yl-propyl)-10,10a-dihydro-5H-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C19H25N3O2/c23-18-17-13-15-7-2-3-8-16(15)14-22(17)19(24)21(18)12-6-11-20-9-4-1-5-10-20/h2-3,7-8,23H,1,4-6,9-14H2
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n/an/a 21.5n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123587
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(cyclopropylmeth...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCC4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C23H34ClN5/c24-20-5-6-21-22(7-10-27-23(21)17-20)26-9-2-12-29-15-13-28(14-16-29)11-1-8-25-18-19-3-4-19/h5-7,10,17,19,25H,1-4,8-9,11-16,18H2,(H,26,27)
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n/an/a 23.3n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50409777
PNG
(CHEMBL2111198)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN[C@@H]4Cc5ccccc5CN4)CC3)ccnc2c1 |r|
Show InChI InChI=1S/C28H37ClN6/c29-24-7-8-25-26(9-12-31-27(25)20-24)30-10-3-13-34-15-17-35(18-16-34)14-4-11-32-28-19-22-5-1-2-6-23(22)21-33-28/h1-2,5-9,12,20,28,32-33H,3-4,10-11,13-19,21H2,(H,30,31)/t28-/m0/s1
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n/an/a 23.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172889
PNG
((S)-2-[3-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C26H30N4O4/c31-25-22-15-20-4-1-2-5-21(20)17-30(22)26(32)29(25)9-3-8-27-10-12-28(13-11-27)16-19-6-7-23-24(14-19)34-18-33-23/h1-2,4-7,14,31H,3,8-13,15-18H2
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n/an/a 23.8n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123575
PNG
((3-{4-[3-(Bis-cyclopropylmethyl-amino)-propyl]-pip...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(CC4CC4)CC4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C27H40ClN5/c28-24-7-8-25-26(9-11-30-27(25)19-24)29-10-1-12-31-15-17-32(18-16-31)13-2-14-33(20-22-3-4-22)21-23-5-6-23/h7-9,11,19,22-23H,1-6,10,12-18,20-21H2,(H,29,30)
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n/an/a 27.1n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172885
PNG
((S)-2-[6-(Methyl-phenethyl-amino)-hexyl]-10,10a-di...)
Show SMILES CN(CCCCCCn1c(O)c2Cc3ccccc3Cn2c1=O)CCc1ccccc1
Show InChI InChI=1S/C26H33N3O2/c1-27(18-15-21-11-5-4-6-12-21)16-9-2-3-10-17-28-25(30)24-19-22-13-7-8-14-23(22)20-29(24)26(28)31/h4-8,11-14,30H,2-3,9-10,15-20H2,1H3
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n/an/a 29.5n/an/an/an/a7.522



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172872
PNG
((S)-2-[3-(4-Benzyl-piperazin-1-yl)-propyl]-10,10a-...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H30N4O2/c30-24-23-17-21-9-4-5-10-22(21)19-29(23)25(31)28(24)12-6-11-26-13-15-27(16-14-26)18-20-7-2-1-3-8-20/h1-5,7-10,30H,6,11-19H2
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n/an/a 32n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123577
PNG
(CHEMBL152862 | Cyclopropanecarboxylic acid (3-{4-[...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)C4CC4)CC3)ccnc2c1
Show InChI InChI=1S/C23H32ClN5O/c24-19-5-6-20-21(7-10-26-22(20)17-19)25-8-1-11-28-13-15-29(16-14-28)12-2-9-27-23(30)18-3-4-18/h5-7,10,17-18H,1-4,8-9,11-16H2,(H,25,26)(H,27,30)
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n/an/a 34n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123561
PNG
(CHEMBL149751 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C27H34ClN5O2/c1-35-23-7-4-21(5-8-23)27(34)31-12-3-15-33-18-16-32(17-19-33)14-2-11-29-25-10-13-30-26-20-22(28)6-9-24(25)26/h4-10,13,20H,2-3,11-12,14-19H2,1H3,(H,29,30)(H,31,34)
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n/an/a 34.2n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123569
PNG
(CHEMBL357111 | N-(3-{4-[3-(7-Chloro-quinolin-4-yla...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C26H31ClN6O3/c27-21-5-8-23-24(9-12-29-25(23)19-21)28-10-1-13-31-15-17-32(18-16-31)14-2-11-30-26(34)20-3-6-22(7-4-20)33(35)36/h3-9,12,19H,1-2,10-11,13-18H2,(H,28,29)(H,30,34)
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n/an/a 35.6n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123558
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(3-phenoxy-benzy...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCc4cccc(Oc5ccccc5)c4)CC3)ccnc2c1
Show InChI InChI=1S/C32H38ClN5O/c33-27-11-12-30-31(13-16-36-32(30)24-27)35-15-6-18-38-21-19-37(20-22-38)17-5-14-34-25-26-7-4-10-29(23-26)39-28-8-2-1-3-9-28/h1-4,7-13,16,23-24,34H,5-6,14-15,17-22,25H2,(H,35,36)
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n/an/a 37.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123571
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-nitro-benzyla...)
Show SMILES [O-][N+](=O)c1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
Show InChI InChI=1S/C26H33ClN6O2/c27-22-5-8-24-25(9-12-30-26(24)19-22)29-11-2-14-32-17-15-31(16-18-32)13-1-10-28-20-21-3-6-23(7-4-21)33(34)35/h3-9,12,19,28H,1-2,10-11,13-18,20H2,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123562
PNG
(CHEMBL152635 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES CCCC(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C23H34ClN5O/c1-2-5-23(30)27-10-4-13-29-16-14-28(15-17-29)12-3-9-25-21-8-11-26-22-18-19(24)6-7-20(21)22/h6-8,11,18H,2-5,9-10,12-17H2,1H3,(H,25,26)(H,27,30)
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n/an/a 40.2n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123565
PNG
((7-Chloro-quinolin-4-yl)-[3-(4-{3-[(quinolin-4-ylm...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNCc4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C29H35ClN6/c30-24-7-8-26-28(10-14-34-29(26)21-24)32-12-4-16-36-19-17-35(18-20-36)15-3-11-31-22-23-9-13-33-27-6-2-1-5-25(23)27/h1-2,5-10,13-14,21,31H,3-4,11-12,15-20,22H2,(H,32,34)
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n/an/a 42.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123572
PNG
((3-{4-[3-(Bis-quinolin-4-ylmethyl-amino)-propyl]-p...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(Cc4ccnc5ccccc45)Cc4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C39H42ClN7/c40-32-11-12-35-38(15-19-44-39(35)27-32)41-16-5-20-45-23-25-46(26-24-45)21-6-22-47(28-30-13-17-42-36-9-3-1-7-33(30)36)29-31-14-18-43-37-10-4-2-8-34(31)37/h1-4,7-15,17-19,27H,5-6,16,20-26,28-29H2,(H,41,44)
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n/an/a 43.4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123613
PNG
(CHEMBL152886 | [3-(4-{3-[Bis-(4-methoxy-benzyl)-am...)
Show SMILES COc1ccc(CN(CCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)Cc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C35H44ClN5O2/c1-42-31-10-5-28(6-11-31)26-41(27-29-7-12-32(43-2)13-8-29)20-4-19-40-23-21-39(22-24-40)18-3-16-37-34-15-17-38-35-25-30(36)9-14-33(34)35/h5-15,17,25H,3-4,16,18-24,26-27H2,1-2H3,(H,37,38)
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n/an/a 47.8n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123582
PNG
(CHEMBL422682 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)c4ccnc5ccccc45)CC3)ccnc2c1
Show InChI InChI=1S/C29H33ClN6O/c30-22-7-8-25-27(10-14-33-28(25)21-22)31-11-3-15-35-17-19-36(20-18-35)16-4-12-34-29(37)24-9-13-32-26-6-2-1-5-23(24)26/h1-2,5-10,13-14,21H,3-4,11-12,15-20H2,(H,31,33)(H,34,37)
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n/an/a 50.6n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123566
PNG
(CHEMBL356249 | N-(3-(4-(3-(butylamino)propyl)piper...)
Show SMILES CCCCNCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1
Show InChI InChI=1S/C23H36ClN5/c1-2-3-9-25-10-4-13-28-15-17-29(18-16-28)14-5-11-26-22-8-12-27-23-19-20(24)6-7-21(22)23/h6-8,12,19,25H,2-5,9-11,13-18H2,1H3,(H,26,27)
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n/an/a 50.9n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172912
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahyd...)
Show SMILES O=C1N(CCN2CCCCC2)C[C@@H]2Cc3ccccc3CN12
Show InChI InChI=1S/C18H25N3O/c22-18-20(11-10-19-8-4-1-5-9-19)14-17-12-15-6-2-3-7-16(15)13-21(17)18/h2-3,6-7,17H,1,4-5,8-14H2/t17-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123585
PNG
((7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-methoxy-benzy...)
Show SMILES COc1ccc(CNCCCN2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc1
Show InChI InChI=1S/C27H36ClN5O/c1-34-24-7-4-22(5-8-24)21-29-11-2-14-32-16-18-33(19-17-32)15-3-12-30-26-10-13-31-27-20-23(28)6-9-25(26)27/h4-10,13,20,29H,2-3,11-12,14-19,21H2,1H3,(H,30,31)
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n/an/a 61.4n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172911
PNG
((S)-2-(3-Piperidin-1-yl-propyl)-9,9a-dihydro-imida...)
Show SMILES Oc1c2Cc3ccccc3-n2c(=O)n1CCCN1CCCCC1
Show InChI InChI=1S/C18H23N3O2/c22-17-16-13-14-7-2-3-8-15(14)21(16)18(23)20(17)12-6-11-19-9-4-1-5-10-19/h2-3,7-8,22H,1,4-6,9-13H2
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n/an/a 66n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123574
PNG
(CHEMBL346177 | [3-(4-{3-[Bis-(4-phenoxy-benzyl)-am...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCN(Cc4ccc(Oc5ccccc5)cc4)Cc4ccc(Oc5ccccc5)cc4)CC3)ccnc2c1
Show InChI InChI=1S/C45H48ClN5O2/c46-38-17-22-43-44(23-25-48-45(43)33-38)47-24-7-26-49-29-31-50(32-30-49)27-8-28-51(34-36-13-18-41(19-14-36)52-39-9-3-1-4-10-39)35-37-15-20-42(21-16-37)53-40-11-5-2-6-12-40/h1-6,9-23,25,33H,7-8,24,26-32,34-35H2,(H,47,48)
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n/an/a 74.9n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/a 76.5n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172915
PNG
((S)-2-(2-Piperidin-1-yl-ethyl)-1,2,3,5,10,10a-hexa...)
Show SMILES C(CN1CCCCC1)N1C[C@@H]2Cc3ccccc3CN2C1
Show InChI InChI=1S/C18H27N3/c1-4-8-19(9-5-1)10-11-20-14-18-12-16-6-2-3-7-17(16)13-21(18)15-20/h2-3,6-7,18H,1,4-5,8-15H2/t18-/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory concentration against opioid receptor sigma 1 of guinea pig cerebral cortex using [3H]-(+)-pentazocine upon incubation for 150 minutes at ...


Bioorg Med Chem Lett 15: 4833-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.040
BindingDB Entry DOI: 10.7270/Q2PN9553
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50123604
PNG
(CHEMBL152266 | N-(3-(4-(3-(7-chloroquinolin-4-ylam...)
Show SMILES Clc1ccc2c(NCCCN3CCN(CCCNC(=O)c4cccc(Oc5ccccc5)c4)CC3)ccnc2c1
Show InChI InChI=1S/C32H36ClN5O2/c33-26-11-12-29-30(13-16-35-31(29)24-26)34-14-5-17-37-19-21-38(22-20-37)18-6-15-36-32(39)25-7-4-10-28(23-25)40-27-8-2-1-3-9-27/h1-4,7-13,16,23-24H,5-6,14-15,17-22H2,(H,34,35)(H,36,39)
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n/an/a 79n/an/an/an/an/an/a



Universit£ de Lille II

Curated by ChEMBL


Assay Description
In vitro inhibition of beta-hematin formation


J Med Chem 46: 542-57 (2003)


Article DOI: 10.1021/jm020960r
BindingDB Entry DOI: 10.7270/Q27W6DDC
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50172891
PNG
((S)-2-[3-(1-Benzyl-piperidin-4-ylamino)-propyl]-10...)
Show SMILES Oc1c2Cc3ccccc3Cn2c(=O)n1CCCNC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C26H32N4O2/c31-25-24-17-21-9-4-5-10-22(21)19-30(24)26(32)29(25)14-6-13-27-23-11-15-28(16-12-23)18-20-7-2-1-3-8-20/h1-5,7-10,23,27,31H,6,11-19H2
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n/an/a 82.3n/an/an/an/a7.5n/a



Université de Lille II

Curated by ChEMBL


Assay Description
Inhibitory activity against opioid receptor sigma 1 in guinea pig cerebral cortex using [3H]-(+)-pentazocine as radio ligand at pH 7.5 for 150 min at...


Bioorg Med Chem Lett 15: 4828-32 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.039
BindingDB Entry DOI: 10.7270/Q2TD9WW1
More data for this
Ligand-Target Pair
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