Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50042204 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM86029
(trans-H2-PAT(+))Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM86029
(trans-H2-PAT(+))Show SMILES CN(C)[C@@H]1C[C@@H](c2ccccc2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.525 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040282
(CHEMBL317029 | CHEMBL545249 | cis-3-Chloro-6-dimet...)Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.708 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040282
(CHEMBL317029 | CHEMBL545249 | cis-3-Chloro-6-dimet...)Show InChI InChI=1S/C18H20ClNO/c1-20(2)14-8-13-9-17(19)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,21H,8,10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM22165
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040292
(CHEMBL323287 | CHEMBL544309 | trans-Diethyl-(4-phe...)Show InChI InChI=1S/C20H25N/c1-3-21(4-2)18-14-17-12-8-9-13-19(17)20(15-18)16-10-6-5-7-11-16/h5-13,18,20H,3-4,14-15H2,1-2H3 | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM79172
(2-[4-[(3Z)-3-[2-(trifluoromethyl)-9-thioxanthenyli...)Show SMILES OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5- | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422033
(CHEMBL134109)Show InChI InChI=1S/C20H25N/c1-3-13-21(2)18-14-17-11-7-8-12-19(17)20(15-18)16-9-5-4-6-10-16/h4-12,18,20H,3,13-15H2,1-2H3 | PDB
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| CHEMBL
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PC sid
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| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422036
(CHEMBL320190)Show InChI InChI=1S/C19H23N/c1-19(16-10-5-4-6-11-16)14-17(20(2)3)13-15-9-7-8-12-18(15)19/h4-12,17H,13-14H2,1-3H3 | PDB
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| CHEMBL
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| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040281
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3 | PDB
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| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040281
(CHEMBL105645 | CHEMBL543134 | cis-7-Dimethylamino-...)Show InChI InChI=1S/C18H21NO2/c1-19(2)14-8-13-9-17(20)18(21)11-16(13)15(10-14)12-6-4-3-5-7-12/h3-7,9,11,14-15,20-21H,8,10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040284
(3-Chloro-6-methylamino-8-phenyl-5,6,7,8-tetrahydro...)Show InChI InChI=1S/C17H18ClNO/c1-19-13-7-12-8-16(18)17(20)10-15(12)14(9-13)11-5-3-2-4-6-11/h2-6,8,10,13-14,19-20H,7,9H2,1H3 | PDB
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| CHEMBL
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422035
(CHEMBL134215)Show InChI InChI=1S/C22H29N/c1-3-14-23(15-4-2)20-16-19-12-8-9-13-21(19)22(17-20)18-10-6-5-7-11-18/h5-13,20,22H,3-4,14-17H2,1-2H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50026957
((cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-yli...)Show SMILES OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+ | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50001859
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50366495
((+)butaclamol | CHEMBL1255588)Show SMILES CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc([C@H]2C1)c34 |r| 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 | PDB
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| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422034
(CHEMBL133847)Show InChI InChI=1S/C19H23N/c1-2-12-20-17-13-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3 | PDB
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| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422040
(CHEMBL104444)Show InChI InChI=1S/C17H19N/c1-18-15-11-14-9-5-6-10-16(14)17(12-15)13-7-3-2-4-8-13/h2-10,15,17-18H,11-12H2,1H3 | PDB
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422037
(CHEMBL104622)Show InChI InChI=1S/C19H23N/c1-20(2)17-13-12-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h3-11,17,19H,12-14H2,1-2H3 | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50422037
(CHEMBL104622)Show InChI InChI=1S/C19H23N/c1-20(2)17-13-12-16-10-6-7-11-18(16)19(14-17)15-8-4-3-5-9-15/h3-11,17,19H,12-14H2,1-2H3 | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
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| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50036736
((S)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)Show SMILES O[C@@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m0/s1 | PDB
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| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21398
(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 | PDB
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| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50005536
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | PDB
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University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM82247
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1 | PDB
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| n/a | n/a | 389 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50036737
((R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2...)Show SMILES O[C@H](CCCN1CCN(CC1)c1ncc(F)cn1)c1ccc(F)cc1 Show InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18/h3-6,12-13,17,25H,1-2,7-11H2/t17-/m1/s1 | PDB
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| n/a | n/a | 437 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM31046
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19) | PDB
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| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50019742
(9-(3-((3S,5R)-3,5-dimethylpiperazin-1-yl)propyl)-9...)Show SMILES C[C@H]1CN(CCCn2c3ccccc3c3ccccc23)C[C@@H](C)N1 |r| Show InChI InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+ | PDB
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| n/a | n/a | 589 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| n/a | n/a | 851 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| n/a | n/a | 912 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040291
(CHEMBL316267 | Dimethyl-(1-phenyl-1,2,3,4-tetrahyd...)Show InChI InChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1 | PDB
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| n/a | n/a | 954 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50040291
(CHEMBL316267 | Dimethyl-(1-phenyl-1,2,3,4-tetrahyd...)Show InChI InChI=1S/C18H21N/c1-19(2)17-13-12-14-8-6-7-11-16(14)18(17)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-,18+/m0/s1 | PDB
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| n/a | n/a | 954 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM21397
(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) | PDB
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| n/a | n/a | 955 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50017716
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3 | PDB
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| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description
The compound was tested for affinity towards sigma-3 receptor |
J Med Chem 37: 4109-17 (1995)
BindingDB Entry DOI: 10.7270/Q2QF8V57 |
More data for this
Ligand-Target Pair | |
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