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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'magar' and Initial = 's'   
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
Lutropin-choriogonadotropic hormone receptor


(Homo sapiens (Human))
BDBM50206401
PNG
(CHEMBL246321 | N-((S)-1-amino-3-(4-hydroxyphenyl)-...)
Show SMILES CC(C)(C)c1ccc(cc1)-n1nc(cc1CCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)-c1cccnc1
Show InChI InChI=1S/C32H37N5O3/c1-32(2,3)24-12-14-25(15-13-24)37-26(20-28(36-37)23-7-6-18-34-21-23)8-4-5-9-30(39)35-29(31(33)40)19-22-10-16-27(38)17-11-22/h6-7,10-18,20-21,29,38H,4-5,8-9,19H2,1-3H3,(H2,33,40)(H,35,39)/t29-/m0/s1
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PubMed
0.311n/an/an/an/an/an/an/an/a



Merck Serono Geneva Research Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-hCG from LH receptor


Bioorg Med Chem Lett 17: 2080-5 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.062
BindingDB Entry DOI: 10.7270/Q2VQ32B2
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061754
PNG
(CHEMBL542487 | N-(2-Chloro-3,5-diethyl-phenyl)-N'-...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2Cl)c1 |w:10.10|
Show InChI InChI=1S/C19H24ClN3/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20/h7-12H,4-6H2,1-3H3,(H3,21,22,23)
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n/an/a 4.5n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061768
PNG
(CHEMBL553034 | N-(2-Bromo-3,5-diethyl-phenyl)-N'-(...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2Br)c1 |w:10.10|
Show InChI InChI=1S/C19H24BrN3/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20/h7-12H,4-6H2,1-3H3,(H3,21,22,23)
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n/an/a 5.70n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061773
PNG
(CHEMBL552829 | N-(3,5-Diethyl-2-fluoro-phenyl)-N'-...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2F)c1 |w:10.10|
Show InChI InChI=1S/C19H24FN3/c1-4-13-8-7-9-16(11-13)22-19(21)23-17-12-14(5-2)10-15(6-3)18(17)20/h7-12H,4-6H2,1-3H3,(H3,21,22,23)
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n/an/a 7.40n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061807
PNG
(CHEMBL552831 | N-(3,5-Diethyl-phenyl)-N'-(3-ethyl-...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(CC)cc(CC)c2)c1 |w:10.10|
Show InChI InChI=1S/C19H25N3/c1-4-14-8-7-9-17(11-14)21-19(20)22-18-12-15(5-2)10-16(6-3)13-18/h7-13H,4-6H2,1-3H3,(H3,20,21,22)
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n/an/a 8n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061756
PNG
(CHEMBL544842 | N-(3-Bromo-phenyl)-N'-(3-ethyl-phen...)
Show SMILES CCc1cccc(NC(N)=Nc2cccc(Br)c2)c1 |w:10.10|
Show InChI InChI=1S/C15H16BrN3/c1-2-11-5-3-7-13(9-11)18-15(17)19-14-8-4-6-12(16)10-14/h3-10H,2H2,1H3,(H3,17,18,19)
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n/an/a 10n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061746
PNG
(CHEMBL556043 | N-(3-Ethyl-phenyl)-N'-o-tolyl-guani...)
Show SMILES CCc1cccc(NC(N)=Nc2ccccc2C)c1 |w:10.10|
Show InChI InChI=1S/C16H19N3/c1-3-13-8-6-9-14(11-13)18-16(17)19-15-10-5-4-7-12(15)2/h4-11H,3H2,1-2H3,(H3,17,18,19)
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n/an/a 11n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061776
PNG
(CHEMBL553312 | N-(2,5-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(Cl)ccc2Cl)c1 |w:10.10|
Show InChI InChI=1S/C15H15Cl2N3/c1-2-10-4-3-5-12(8-10)19-15(18)20-14-9-11(16)6-7-13(14)17/h3-9H,2H2,1H3,(H3,18,19,20)
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n/an/a 12n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061805
PNG
(CHEMBL542491 | N-(2,3-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(NC(N)=Nc2cccc(Cl)c2Cl)c1 |w:10.10|
Show InChI InChI=1S/C15H15Cl2N3/c1-2-10-5-3-6-11(9-10)19-15(18)20-13-8-4-7-12(16)14(13)17/h3-9H,2H2,1H3,(H3,18,19,20)
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n/an/a 13n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061806
PNG
(CHEMBL543433 | N-(2,6-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(NC(N)=Nc2c(Cl)cccc2Cl)c1 |w:10.10|
Show InChI InChI=1S/C15H15Cl2N3/c1-2-10-5-3-6-11(9-10)19-15(18)20-14-12(16)7-4-8-13(14)17/h3-9H,2H2,1H3,(H3,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061766
PNG
(CHEMBL545310 | N-(2-Chloro-phenyl)-N'-(3-ethyl-phe...)
Show SMILES CCc1cccc(NC(N)=Nc2ccccc2Cl)c1 |w:10.10|
Show InChI InChI=1S/C15H16ClN3/c1-2-11-6-5-7-12(10-11)18-15(17)19-14-9-4-3-8-13(14)16/h3-10H,2H2,1H3,(H3,17,18,19)
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n/an/a 16n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061795
PNG
(CHEMBL543427 | N-(2-Chloro-3-ethyl-5-methylsulfany...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(SC)cc(CC)c2Cl)c1 |w:10.10|
Show InChI InChI=1S/C18H22ClN3S/c1-4-12-7-6-8-14(9-12)21-18(20)22-16-11-15(23-3)10-13(5-2)17(16)19/h6-11H,4-5H2,1-3H3,(H3,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061739
PNG
(CHEMBL542736 | N-(2-Chloro-3-ethyl-5-trifluorometh...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(cc(CC)c2Cl)C(F)(F)F)c1 |w:10.10|
Show InChI InChI=1S/C18H19ClF3N3/c1-3-11-6-5-7-14(8-11)24-17(23)25-15-10-13(18(20,21)22)9-12(4-2)16(15)19/h5-10H,3-4H2,1-2H3,(H3,23,24,25)
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n/an/a 17n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061778
PNG
(CHEMBL542481 | N-(2,5-Dibromo-3-ethyl-phenyl)-N'-(...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(Br)cc(CC)c2Br)c1 |w:10.10|
Show InChI InChI=1S/C17H19Br2N3/c1-3-11-6-5-7-14(8-11)21-17(20)22-15-10-13(18)9-12(4-2)16(15)19/h5-10H,3-4H2,1-2H3,(H3,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061764
PNG
(CHEMBL538036 | N-(2-Ethyl-phenyl)-N'-(3-ethyl-phen...)
Show SMILES CCc1cccc(NC(N)=Nc2ccccc2CC)c1 |w:10.10|
Show InChI InChI=1S/C17H21N3/c1-3-13-8-7-10-15(12-13)19-17(18)20-16-11-6-5-9-14(16)4-2/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
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n/an/a 19n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061744
PNG
(CHEMBL553749 | N-(2-Bromo-3-ethyl-5-trifluoromethy...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(cc(CC)c2Br)C(F)(F)F)c1 |w:10.10|
Show InChI InChI=1S/C18H19BrF3N3/c1-3-11-6-5-7-14(8-11)24-17(23)25-15-10-13(18(20,21)22)9-12(4-2)16(15)19/h5-10H,3-4H2,1-2H3,(H3,23,24,25)
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n/an/a 20n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061741
PNG
(CHEMBL543432 | N-(4-Chloro-phenyl)-N'-(3-ethyl-phe...)
Show SMILES CCc1cccc(c1)N=C(N)Nc1ccc(Cl)cc1 |w:8.8|
Show InChI InChI=1S/C15H16ClN3/c1-2-11-4-3-5-14(10-11)19-15(17)18-13-8-6-12(16)7-9-13/h3-10H,2H2,1H3,(H3,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061770
PNG
(CHEMBL541860 | N-(3-Ethyl-phenyl)-N'-(2-isopropyl-...)
Show SMILES CCc1cccc(NC(N)=Nc2ccccc2C(C)C)c1 |w:10.10|
Show InChI InChI=1S/C18H23N3/c1-4-14-8-7-9-15(12-14)20-18(19)21-17-11-6-5-10-16(17)13(2)3/h5-13H,4H2,1-3H3,(H3,19,20,21)
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n/an/a 21n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061755
PNG
(CHEMBL540841 | N-(3-Ethyl-2-fluoro-5-trifluorometh...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(cc(CC)c2F)C(F)(F)F)c1 |w:10.10|
Show InChI InChI=1S/C18H19F4N3/c1-3-11-6-5-7-14(8-11)24-17(23)25-15-10-13(18(20,21)22)9-12(4-2)16(15)19/h5-10H,3-4H2,1-2H3,(H3,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061783
PNG
(CHEMBL554355 | N-(3-Chloro-phenyl)-N'-(3-ethyl-phe...)
Show SMILES CCc1cccc(NC(N)=Nc2cccc(Cl)c2)c1 |w:10.10|
Show InChI InChI=1S/C15H16ClN3/c1-2-11-5-3-7-13(9-11)18-15(17)19-14-8-4-6-12(16)10-14/h3-10H,2H2,1H3,(H3,17,18,19)
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n/an/a 27n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061745
PNG
(CHEMBL543673 | N'-(2,5-Dichloro-phenyl)-N-(3-ethyl...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(Cl)ccc1Cl |w:12.13|
Show InChI InChI=1S/C16H17Cl2N3/c1-3-11-5-4-6-13(9-11)21(2)16(19)20-15-10-12(17)7-8-14(15)18/h4-10H,3H2,1-2H3,(H2,19,20)
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n/an/a 29n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50010747
PNG
(CHEMBL543201 | CHEMBL78777 | N,N'-Bis-(3-ethyl-phe...)
Show SMILES CCc1cccc(NC(N)=Nc2cccc(CC)c2)c1 |w:10.10|
Show InChI InChI=1S/C17H21N3/c1-3-13-7-5-9-15(11-13)19-17(18)20-16-10-6-8-14(4-2)12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
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n/an/a 30n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061762
PNG
(CHEMBL542730 | N-(2-Chloro-3-ethyl-5-methyl-phenyl...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(C)cc(CC)c2Cl)c1 |w:10.10|
Show InChI InChI=1S/C18H22ClN3/c1-4-13-7-6-8-15(11-13)21-18(20)22-16-10-12(3)9-14(5-2)17(16)19/h6-11H,4-5H2,1-3H3,(H3,20,21,22)
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n/an/a 31n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061788
PNG
(CHEMBL543431 | N-(3,4-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(NC(N)=Nc2ccc(Cl)c(Cl)c2)c1 |w:10.10|
Show InChI InChI=1S/C15H15Cl2N3/c1-2-10-4-3-5-11(8-10)19-15(18)20-12-6-7-13(16)14(17)9-12/h3-9H,2H2,1H3,(H3,18,19,20)
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n/an/a 32n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061794
PNG
(CHEMBL539299 | N-(2,4-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(NC(N)=Nc2ccc(Cl)cc2Cl)c1 |w:10.10|
Show InChI InChI=1S/C15H15Cl2N3/c1-2-10-4-3-5-12(8-10)19-15(18)20-14-7-6-11(16)9-13(14)17/h3-9H,2H2,1H3,(H3,18,19,20)
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n/an/a 37n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061763
PNG
(CHEMBL545545 | N'-(3,4-Dichloro-phenyl)-N-(3-ethyl...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1ccc(Cl)c(Cl)c1 |w:12.13|
Show InChI InChI=1S/C16H17Cl2N3/c1-3-11-5-4-6-13(9-11)21(2)16(19)20-12-7-8-14(17)15(18)10-12/h4-10H,3H2,1-2H3,(H2,19,20)
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n/an/a 39n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061789
PNG
(CHEMBL542956 | N-(2,5-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(c1)N(C)C(=N)N(C)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H19Cl2N3/c1-4-12-6-5-7-14(10-12)21(2)17(20)22(3)16-11-13(18)8-9-15(16)19/h5-11,20H,4H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061758
PNG
(CHEMBL545542 | N'-(2,5-Dibromo-3-ethyl-phenyl)-N-(...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(CC)c1Br |w:12.13|
Show InChI InChI=1S/C18H21Br2N3/c1-4-12-7-6-8-15(9-12)23(3)18(21)22-16-11-14(19)10-13(5-2)17(16)20/h6-11H,4-5H2,1-3H3,(H2,21,22)
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n/an/a 40n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061804
PNG
(CHEMBL538283 | N'-(3-Bromo-phenyl)-N-(3-ethyl-phen...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cccc(Br)c1 |w:12.13|
Show InChI InChI=1S/C16H18BrN3/c1-3-12-6-4-9-15(10-12)20(2)16(18)19-14-8-5-7-13(17)11-14/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 40n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061747
PNG
(CHEMBL542964 | N-(3-Ethyl-phenyl)-N-methyl-N'-phen...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1ccccc1 |w:12.13|
Show InChI InChI=1S/C16H19N3/c1-3-13-8-7-11-15(12-13)19(2)16(17)18-14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H2,17,18)
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n/an/a 43n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061799
PNG
(CHEMBL555091 | N'-(3-Chloro-phenyl)-N-(3-ethyl-phe...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cccc(Cl)c1 |w:12.13|
Show InChI InChI=1S/C16H18ClN3/c1-3-12-6-4-9-15(10-12)20(2)16(18)19-14-8-5-7-13(17)11-14/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 44n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061791
PNG
(CHEMBL545544 | N'-(2-Chloro-3-ethyl-5-methyl-pheny...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(C)cc(CC)c1Cl |w:12.13|
Show InChI InChI=1S/C19H24ClN3/c1-5-14-8-7-9-16(12-14)23(4)19(21)22-17-11-13(3)10-15(6-2)18(17)20/h7-12H,5-6H2,1-4H3,(H2,21,22)
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n/an/a 45n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061797
PNG
(CHEMBL539549 | N'-(4-Chloro-phenyl)-N-(3-ethyl-phe...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1ccc(Cl)cc1 |w:12.13|
Show InChI InChI=1S/C16H18ClN3/c1-3-12-5-4-6-15(11-12)20(2)16(18)19-14-9-7-13(17)8-10-14/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 46n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061782
PNG
(CHEMBL553167 | N-(2,5-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(c1)N=C(N)N(C)c1cc(Cl)ccc1Cl |w:8.8|
Show InChI InChI=1S/C16H17Cl2N3/c1-3-11-5-4-6-13(9-11)20-16(19)21(2)15-10-12(17)7-8-14(15)18/h4-10H,3H2,1-2H3,(H2,19,20)
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n/an/a 64n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061784
PNG
(CHEMBL542959 | N-(3,5-Dichloro-phenyl)-N'-(3-ethyl...)
Show SMILES CCc1cccc(NC(N)=Nc2cc(Cl)cc(Cl)c2)c1 |w:10.10|
Show InChI InChI=1S/C15H15Cl2N3/c1-2-10-4-3-5-13(6-10)19-15(18)20-14-8-11(16)7-12(17)9-14/h3-9H,2H2,1H3,(H3,18,19,20)
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n/an/a 70n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061760
PNG
(CHEMBL554618 | N'-(2-Chloro-phenyl)-N-(3-ethyl-phe...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1ccccc1Cl |w:12.13|
Show InChI InChI=1S/C16H18ClN3/c1-3-12-7-6-8-13(11-12)20(2)16(18)19-15-10-5-4-9-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 72n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061803
PNG
(CHEMBL540831 | N'-(3-Ethyl-2-fluoro-5-trifluoromet...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1F)C(F)(F)F |w:12.13|
Show InChI InChI=1S/C19H21F4N3/c1-4-12-7-6-8-15(9-12)26(3)18(24)25-16-11-14(19(21,22)23)10-13(5-2)17(16)20/h6-11H,4-5H2,1-3H3,(H2,24,25)
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n/an/a 79n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50043977
PNG
(CHEMBL543434 | CHEMBL91628 | N,N'-Bis-(3-ethyl-phe...)
Show SMILES CCc1cccc(c1)N=C(N)N(C)c1cccc(CC)c1 |w:8.8|
Show InChI InChI=1S/C18H23N3/c1-4-14-8-6-10-16(12-14)20-18(19)21(3)17-11-7-9-15(5-2)13-17/h6-13H,4-5H2,1-3H3,(H2,19,20)
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n/an/a 82n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061743
PNG
(CHEMBL555698 | N'-(2,3-Dichloro-phenyl)-N-(3-ethyl...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cccc(Cl)c1Cl |w:12.13|
Show InChI InChI=1S/C16H17Cl2N3/c1-3-11-6-4-7-12(10-11)21(2)16(19)20-14-9-5-8-13(17)15(14)18/h4-10H,3H2,1-2H3,(H2,19,20)
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n/an/a 97n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066417
PNG
(CHEMBL112806 | N-(4-Benzyloxy-phenyl)-N'-(4-tert-b...)
Show SMILES CC(C)(C)c1ccc(NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1 |w:11.11|
Show InChI InChI=1S/C24H27N3O/c1-24(2,3)19-9-11-20(12-10-19)26-23(25)27-21-13-15-22(16-14-21)28-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H3,25,26,27)
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n/an/a 110n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061786
PNG
(CHEMBL540326 | N'-(2,5-Dichloro-3-trifluoromethyl-...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(Cl)cc(c1Cl)C(F)(F)F |w:12.13|
Show InChI InChI=1S/C17H16Cl2F3N3/c1-3-10-5-4-6-12(7-10)25(2)16(23)24-14-9-11(18)8-13(15(14)19)17(20,21)22/h4-9H,3H2,1-2H3,(H2,23,24)
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n/an/a 110n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061772
PNG
(CHEMBL543428 | N'-(2-Chloro-3,5-diethyl-phenyl)-N-...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(CC)c1Cl |w:12.13|
Show InChI InChI=1S/C20H26ClN3/c1-5-14-9-8-10-17(12-14)24(4)20(22)23-18-13-15(6-2)11-16(7-3)19(18)21/h8-13H,5-7H2,1-4H3,(H2,22,23)
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n/an/a 112n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061787
PNG
(CHEMBL542238 | N'-(3,5-Diethyl-2-fluoro-phenyl)-N-...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(CC)cc(CC)c1F |w:12.13|
Show InChI InChI=1S/C20H26FN3/c1-5-14-9-8-10-17(12-14)24(4)20(22)23-18-13-15(6-2)11-16(7-3)19(18)21/h8-13H,5-7H2,1-4H3,(H2,22,23)
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n/an/a 113n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061750
PNG
(CHEMBL543196 | N'-(2,5-Dibromo-3-methylsulfanyl-ph...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(SC)c1Br |w:12.13|
Show InChI InChI=1S/C17H19Br2N3S/c1-4-11-6-5-7-13(8-11)22(2)17(20)21-14-9-12(18)10-15(23-3)16(14)19/h5-10H,4H2,1-3H3,(H2,20,21)
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n/an/a 113n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061761
PNG
(CHEMBL541848 | N'-(2,5-Dibromo-3-trifluoromethoxy-...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(Br)cc(OC(F)(F)F)c1Br |w:12.13|
Show InChI InChI=1S/C17H16Br2F3N3O/c1-3-10-5-4-6-12(7-10)25(2)16(23)24-13-8-11(18)9-14(15(13)19)26-17(20,21)22/h4-9H,3H2,1-2H3,(H2,23,24)
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n/an/a 113n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061774
PNG
(CHEMBL543436 | N'-(2-Chloro-3-ethyl-5-trifluoromet...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(cc(CC)c1Cl)C(F)(F)F |w:12.13|
Show InChI InChI=1S/C19H21ClF3N3/c1-4-12-7-6-8-15(9-12)26(3)18(24)25-16-11-14(19(21,22)23)10-13(5-2)17(16)20/h6-11H,4-5H2,1-3H3,(H2,24,25)
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n/an/a 115n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061777
PNG
(CHEMBL555099 | N'-(2-Bromo-phenyl)-N-(3-ethyl-phen...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1ccccc1Br |w:12.13|
Show InChI InChI=1S/C16H18BrN3/c1-3-12-7-6-8-13(11-12)20(2)16(18)19-15-10-5-4-9-14(15)17/h4-11H,3H2,1-2H3,(H2,18,19)
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n/an/a 125n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066427
PNG
(CHEMBL109210 | N,N'-Bis-(4-butyl-phenyl)-guanidine)
Show SMILES CCCCc1ccc(NC(N)=Nc2ccc(CCCC)cc2)cc1 |w:11.11|
Show InChI InChI=1S/C21H29N3/c1-3-5-7-17-9-13-19(14-10-17)23-21(22)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H3,22,23,24)
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n/an/a 130n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50061742
PNG
(CHEMBL554868 | N'-(2,5-Dichloro-3-methylsulfanyl-p...)
Show SMILES CCc1cccc(c1)N(C)C(N)=Nc1cc(Cl)cc(SC)c1Cl |w:12.13|
Show InChI InChI=1S/C17H19Cl2N3S/c1-4-11-6-5-7-13(8-11)22(2)17(20)21-14-9-12(18)10-15(23-3)16(14)19/h5-10H,4H2,1-3H3,(H2,20,21)
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n/an/a 130n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Binding assay for the sigma receptor sites is performed by utilizing [3H]N,N-di-o-tolylguanidine ([3H]DTG) and guinea pig brain membrane suspensions


J Med Chem 40: 4281-9 (1998)


Article DOI: 10.1021/jm970459c
BindingDB Entry DOI: 10.7270/Q2G161HQ
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066420
PNG
(CHEMBL112132 | N-(4-Benzyloxy-phenyl)-N'-(4-butyl-...)
Show SMILES CCCCc1ccc(NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1 |w:11.11|
Show InChI InChI=1S/C24H27N3O/c1-2-3-7-19-10-12-21(13-11-19)26-24(25)27-22-14-16-23(17-15-22)28-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H3,25,26,27)
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n/an/a 140n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
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