Found 100 hits of Enzyme Inhibition Constant Data 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)) | 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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| PDB
Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396404
(CHEMBL2170226)Show InChI InChI=1S/C16H19Cl2N3O/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13/h4-5,10-11H,2-3,6-9H2,1H3 | PDB
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PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396403
(CHEMBL2170227)Show InChI InChI=1S/C17H21Cl2N3O/c1-13-11-17(23-10-9-21-7-3-2-4-8-21)20-22(13)14-5-6-15(18)16(19)12-14/h5-6,11-12H,2-4,7-10H2,1H3 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50044725
(1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-methyl-piperaz...)Show InChI InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396381
(CHEMBL2170222)Show InChI InChI=1S/C18H23Cl2N3O/c1-14-12-18(24-11-5-4-10-22-8-2-3-9-22)21-23(14)15-6-7-16(19)17(20)13-15/h6-7,12-13H,2-5,8-11H2,1H3 | PDB
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| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396380
(CHEMBL2170223)Show InChI InChI=1S/C19H25Cl2N3O/c1-15-13-19(22-24(15)16-7-8-17(20)18(21)14-16)25-12-6-5-11-23-9-3-2-4-10-23/h7-8,13-14H,2-6,9-12H2,1H3 | PDB
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PubMed
| 7.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396373
(CHEMBL2170213)Show SMILES CC(=O)C1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C18H21Cl2N3O2/c1-13(24)14-4-7-22(8-5-14)10-11-25-18-6-9-23(21-18)15-2-3-16(19)17(20)12-15/h2-3,6,9,12,14H,4-5,7-8,10-11H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
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PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396364
(CHEMBL2170206)Show InChI InChI=1S/C17H23Cl2N3O2/c1-21(10-12-23-2)8-3-4-11-24-17-7-9-22(20-17)14-5-6-15(18)16(19)13-14/h5-7,9,13H,3-4,8,10-12H2,1-2H3 | PDB
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396395
(CHEMBL2170237)Show InChI InChI=1S/C15H17Cl2N3O2/c16-13-2-1-12(11-14(13)17)20-4-3-15(18-20)22-10-7-19-5-8-21-9-6-19/h1-4,11H,5-10H2 | PDB
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| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396401
(CHEMBL2170229)Show SMILES CC1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C18H23Cl2N3O/c1-13-5-7-22(8-6-13)9-10-24-18-11-14(2)23(21-18)15-3-4-16(19)17(20)12-15/h3-4,11-13H,5-10H2,1-2H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396397
(CHEMBL2170235)Show InChI InChI=1S/C18H23Cl2N3O/c1-13-11-18(24-10-9-21-14-5-3-2-4-6-14)22-23(13)15-7-8-16(19)17(20)12-15/h7-8,11-12,14,21H,2-6,9-10H2,1H3 | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396391
(CHEMBL2170212)Show InChI InChI=1S/C17H21Cl2N3O/c1-13-4-7-21(8-5-13)10-11-23-17-6-9-22(20-17)14-2-3-15(18)16(19)12-14/h2-3,6,9,12-13H,4-5,7-8,10-11H2,1H3 | PDB
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PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396392
(CHEMBL2170211)Show InChI InChI=1S/C17H21Cl2N3O/c18-15-6-5-14(13-16(15)19)22-10-7-17(20-22)23-12-11-21-8-3-1-2-4-9-21/h5-7,10,13H,1-4,8-9,11-12H2 | PDB
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| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396359
(CHEMBL2170055)Show InChI InChI=1S/C17H21Cl2N3O2/c1-12-13(2)22(14-3-4-15(18)16(19)11-14)20-17(12)24-10-7-21-5-8-23-9-6-21/h3-4,11H,5-10H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396402
(CHEMBL2170228)Show InChI InChI=1S/C18H23Cl2N3O/c1-14-12-18(24-11-10-22-8-4-2-3-5-9-22)21-23(14)15-6-7-16(19)17(20)13-15/h6-7,12-13H,2-5,8-11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396335
(CHEMBL2170054)Show InChI InChI=1S/C16H20Cl2N4/c17-14-5-4-13(12-15(14)18)22-10-6-16(20-22)19-7-11-21-8-2-1-3-9-21/h4-6,10,12H,1-3,7-9,11H2,(H,19,20) | PDB
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396384
(CHEMBL2170219)Show InChI InChI=1S/C17H21Cl2N3O/c18-15-6-5-14(13-16(15)19)22-11-7-17(20-22)23-12-4-10-21-8-2-1-3-9-21/h5-7,11,13H,1-4,8-10,12H2 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
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| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396346
(CHEMBL2170068)Show InChI InChI=1S/C20H23N3O/c1-16-14-20(24-13-12-22-10-4-5-11-22)21-23(16)19-9-8-17-6-2-3-7-18(17)15-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3 | PDB
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| CHEMBL
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| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396378
(CHEMBL2170071)Show SMILES CN1CCN(CCCCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C19H26Cl2N4O/c1-15-13-19(22-25(15)16-5-6-17(20)18(21)14-16)26-12-4-3-7-24-10-8-23(2)9-11-24/h5-6,13-14H,3-4,7-12H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396398
(CHEMBL2170234)Show InChI InChI=1S/C16H21Cl2N3O/c1-4-20(5-2)8-9-22-16-10-12(3)21(19-16)13-6-7-14(17)15(18)11-13/h6-7,10-11H,4-5,8-9H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 9.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396347
(CHEMBL2170067)Show InChI InChI=1S/C21H25N3O/c1-17-15-21(25-14-13-23-11-5-2-6-12-23)22-24(17)20-10-9-18-7-3-4-8-19(18)16-20/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396368
(CHEMBL2170076)Show InChI InChI=1S/C17H21Cl2N3OS/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)23-10-2-1-6-21-8-11-24-12-9-21/h3-5,7,13H,1-2,6,8-12H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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Similars
| Article
PubMed
| 10.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396387
(CHEMBL2170217)Show InChI InChI=1S/C17H21Cl2N3O/c1-13-11-17(23-10-4-9-21-7-2-3-8-21)20-22(13)14-5-6-15(18)16(19)12-14/h5-6,11-12H,2-4,7-10H2,1H3 | PDB
UniProtKB/SwissProt
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| 10.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396376
(CHEMBL2170225)Show InChI InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)13-2-3-14(17)15(18)11-13/h2-3,10-11H,4-9H2,1H3 | PDB
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| 10.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396375
(CHEMBL2170231)Show SMILES CN1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C17H22Cl2N4O/c1-13-11-17(24-10-9-22-7-5-21(2)6-8-22)20-23(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,5-10H2,1-2H3 | PDB
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| 11.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396372
(CHEMBL2170072)Show InChI InChI=1S/C18H25Cl2N3O/c1-4-22(5-2)10-6-7-11-24-18-12-14(3)23(21-18)15-8-9-16(19)17(20)13-15/h8-9,12-13H,4-7,10-11H2,1-3H3 | PDB
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| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396386
(CHEMBL2170218)Show SMILES CN1CCN(CCCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C18H24Cl2N4O/c1-14-12-18(21-24(14)15-4-5-16(19)17(20)13-15)25-11-3-6-23-9-7-22(2)8-10-23/h4-5,12-13H,3,6-11H2,1-2H3 | PDB
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| 13.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396382
(CHEMBL2170221)Show InChI InChI=1S/C18H23Cl2N3O2/c1-14-12-18(21-23(14)15-4-5-16(19)17(20)13-15)25-9-3-2-6-22-7-10-24-11-8-22/h4-5,12-13H,2-3,6-11H2,1H3 | PDB
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| 13.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396338
(CHEMBL2170051)Show InChI InChI=1S/C16H19Cl2N3OS/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)13-2-3-14(17)15(18)11-13/h2-3,10-11H,4-9H2,1H3 | PDB
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| Article
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| 14.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396367
(CHEMBL2170203)Show SMILES C[C@H]1CN(CCCCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C19H25Cl2N3O2/c1-14-12-23(13-15(2)26-14)8-3-4-10-25-19-7-9-24(22-19)16-5-6-17(20)18(21)11-16/h5-7,9,11,14-15H,3-4,8,10,12-13H2,1-2H3/t14-,15+ | PDB
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| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396399
(CHEMBL2170233)Show SMILES Cc1cc(OCCN2CCN(CC2)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H24Cl2N4O/c1-17-15-22(25-28(17)19-7-8-20(23)21(24)16-19)29-14-13-26-9-11-27(12-10-26)18-5-3-2-4-6-18/h2-8,15-16H,9-14H2,1H3 | PDB
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| 14.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396394
(CHEMBL2170238)Show InChI InChI=1S/C15H17Cl2N3O/c16-13-4-3-12(11-14(13)17)20-8-5-15(18-20)21-10-9-19-6-1-2-7-19/h3-5,8,11H,1-2,6-7,9-10H2 | PDB
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| 15.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396400
(CHEMBL2170230)Show SMILES Cc1cc(OCCN2CCC(CC2)n2cnc3cccnc23)nn1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C23H24Cl2N6O/c1-16-13-22(28-31(16)18-4-5-19(24)20(25)14-18)32-12-11-29-9-6-17(7-10-29)30-15-27-21-3-2-8-26-23(21)30/h2-5,8,13-15,17H,6-7,9-12H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396385
(CHEMBL2169891)Show InChI InChI=1S/C16H19Cl2N3O2/c17-14-3-2-13(12-15(14)18)21-6-4-16(19-21)23-9-1-5-20-7-10-22-11-8-20/h2-4,6,12H,1,5,7-11H2 | PDB
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| 16.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396383
(CHEMBL2170220)Show InChI InChI=1S/C17H22Cl2N4O/c1-21-8-10-22(11-9-21)6-2-12-24-17-5-7-23(20-17)14-3-4-15(18)16(19)13-14/h3-5,7,13H,2,6,8-12H2,1H3 | PDB
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| 16.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396393
(CHEMBL2170239)Show InChI InChI=1S/C16H19Cl2N3O/c17-14-5-4-13(12-15(14)18)21-9-6-16(19-21)22-11-10-20-7-2-1-3-8-20/h4-6,9,12H,1-3,7-8,10-11H2 | PDB
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| 16.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396366
(CHEMBL2170204)Show InChI InChI=1S/C17H23Cl2N3O/c1-3-21(4-2)10-5-6-12-23-17-9-11-22(20-17)14-7-8-15(18)16(19)13-14/h7-9,11,13H,3-6,10,12H2,1-2H3 | PDB
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| 17.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396369
(CHEMBL2170075)Show InChI InChI=1S/C17H21Cl2N3O2/c18-15-4-3-14(13-16(15)19)22-7-5-17(20-22)24-10-2-1-6-21-8-11-23-12-9-21/h3-5,7,13H,1-2,6,8-12H2 | PDB
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| 17.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396354
(CHEMBL2170060)Show InChI InChI=1S/C15H18ClN3O2/c16-13-1-3-14(4-2-13)19-6-5-15(17-19)21-12-9-18-7-10-20-11-8-18/h1-6H,7-12H2 | PDB
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| 17.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396388
(CHEMBL2170216)Show InChI InChI=1S/C17H21Cl2N3O2/c1-13-11-17(24-8-2-5-21-6-9-23-10-7-21)20-22(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,2,5-10H2,1H3 | PDB
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PubMed
| 18.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396348
(CHEMBL2170066)Show InChI InChI=1S/C15H25N3O2/c1-2-4-14(5-3-1)18-7-6-15(16-18)20-13-10-17-8-11-19-12-9-17/h6-7,14H,1-5,8-13H2 | PDB
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PubMed
| 23.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396365
(CHEMBL2170205)Show SMILES CN(CCCCOc1ccn(n1)-c1ccc(Cl)c(Cl)c1)Cc1ccccc1 Show InChI InChI=1S/C21H23Cl2N3O/c1-25(16-17-7-3-2-4-8-17)12-5-6-14-27-21-11-13-26(24-21)18-9-10-19(22)20(23)15-18/h2-4,7-11,13,15H,5-6,12,14,16H2,1H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396379
(CHEMBL2170224)Show SMILES Cc1cc(OCCCCN2CCC(CC2)c2ccccc2)nn1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C25H29Cl2N3O/c1-19-17-25(28-30(19)22-9-10-23(26)24(27)18-22)31-16-6-5-13-29-14-11-21(12-15-29)20-7-3-2-4-8-20/h2-4,7-10,17-18,21H,5-6,11-16H2,1H3 | PDB
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| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396351
(CHEMBL2170063)Show InChI InChI=1S/C19H21N3O2/c1-2-4-17-15-18(6-5-16(17)3-1)22-8-7-19(20-22)24-14-11-21-9-12-23-13-10-21/h1-8,15H,9-14H2 | PDB
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| Article
PubMed
| 33.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396344
(CHEMBL2170070)Show SMILES C[C@H]1CN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C22H27N3O2/c1-16-12-22(26-11-10-24-14-17(2)27-18(3)15-24)23-25(16)21-9-8-19-6-4-5-7-20(19)13-21/h4-9,12-13,17-18H,10-11,14-15H2,1-3H3/t17-,18+ | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 33.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396363
(CHEMBL2170207)Show InChI InChI=1S/C18H23Cl2N3O2/c19-16-5-4-15(14-17(16)20)23-9-6-18(21-23)25-13-12-24-11-10-22-7-2-1-3-8-22/h4-6,9,14H,1-3,7-8,10-13H2 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 36.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396336
(CHEMBL2170053)Show InChI InChI=1S/C15H18Cl2N4O/c16-13-2-1-12(11-14(13)17)21-5-3-15(19-21)18-4-6-20-7-9-22-10-8-20/h1-3,5,11H,4,6-10H2,(H,18,19) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 39.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396353
(CHEMBL2170061)Show InChI InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)15-3-2-13(17)11-14(15)18/h2-3,10-11H,4-9H2,1H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396374
(CHEMBL2170232)Show SMILES CCOC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C19H24Cl2N4O3/c1-3-27-19(26)24-8-6-23(7-9-24)10-11-28-18-12-14(2)25(22-18)15-4-5-16(20)17(21)13-15/h4-5,12-13H,3,6-11H2,1-2H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396345
(CHEMBL2170069)Show InChI InChI=1S/C20H25N3O/c1-4-22(5-2)12-13-24-20-14-16(3)23(21-20)19-11-10-17-8-6-7-9-18(17)15-19/h6-11,14-15H,4-5,12-13H2,1-3H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396340
(CHEMBL2170049)Show SMILES C[C@H]1CN(CCCCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C24H31N3O2/c1-18-14-24(28-13-7-6-12-26-16-19(2)29-20(3)17-26)25-27(18)23-11-10-21-8-4-5-9-22(21)15-23/h4-5,8-11,14-15,19-20H,6-7,12-13,16-17H2,1-3H3/t19-,20+ | PDB
UniProtKB/SwissProt
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| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396337
(CHEMBL2170052)Show InChI InChI=1S/C16H18Cl2N4O/c17-13-5-4-12(10-14(13)18)22-9-6-15(20-22)19-16(23)11-21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8,11H2,(H,19,20,23) | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 80.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396343
(CHEMBL2170046)Show SMILES CC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C22H26N4O2/c1-17-15-22(28-14-13-24-9-11-25(12-10-24)18(2)27)23-26(17)21-8-7-19-5-3-4-6-20(19)16-21/h3-8,15-16H,9-14H2,1-2H3 | PDB
UniProtKB/SwissProt
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PubMed
| 83.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396341
(CHEMBL2170048)Show InChI InChI=1S/C22H27N3O2/c1-18-16-22(27-13-5-4-10-24-11-14-26-15-12-24)23-25(18)21-9-8-19-6-2-3-7-20(19)17-21/h2-3,6-9,16-17H,4-5,10-15H2,1H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 99.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396361
(CHEMBL2170209)Show InChI InChI=1S/C16H19Cl2N3O3/c17-14-2-1-12(9-15(14)18)21-4-3-16(19-21)24-11-13(22)10-20-5-7-23-8-6-20/h1-4,9,13,22H,5-8,10-11H2 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396350
(CHEMBL2170064)Show InChI InChI=1S/C21H25N3O2/c1-16-17(2)24(20-8-7-18-5-3-4-6-19(18)15-20)22-21(16)26-14-11-23-9-12-25-13-10-23/h3-8,15H,9-14H2,1-2H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 139 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396390
(CHEMBL2170214)Show InChI InChI=1S/C18H23Cl2N3O2/c1-13(2)17-12-18(25-10-7-22-5-8-24-9-6-22)21-23(17)14-3-4-15(19)16(20)11-14/h3-4,11-13H,5-10H2,1-2H3 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396355
(CHEMBL2170059)Show InChI InChI=1S/C16H20ClN3O2/c1-13-11-16(22-10-7-19-5-8-21-9-6-19)18-20(13)15-4-2-3-14(17)12-15/h2-4,11-12H,5-10H2,1H3 | PDB
UniProtKB/SwissProt
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PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396389
(CHEMBL2170215)Show SMILES Clc1ccc(cc1Cl)-n1nc(OCCN2CCOCC2)cc1-c1ccccc1 Show InChI InChI=1S/C21H21Cl2N3O2/c22-18-7-6-17(14-19(18)23)26-20(16-4-2-1-3-5-16)15-21(24-26)28-13-10-25-8-11-27-12-9-25/h1-7,14-15H,8-13H2 | PDB
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| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396360
(CHEMBL2170210)Show SMILES CN1CCN(CC(O)COc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C17H22Cl2N4O2/c1-21-6-8-22(9-7-21)11-14(24)12-25-17-4-5-23(20-17)13-2-3-15(18)16(19)10-13/h2-5,10,14,24H,6-9,11-12H2,1H3 | PDB
UniProtKB/SwissProt
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PubMed
| 233 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396396
(CHEMBL2170236)Show InChI InChI=1S/C15H14Cl2N4O/c1-11-8-15(22-7-6-20-5-4-18-10-20)19-21(11)12-2-3-13(16)14(17)9-12/h2-5,8-10H,6-7H2,1H3 | PDB
UniProtKB/SwissProt
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PubMed
| 294 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396339
(CHEMBL2170050)Show SMILES CC(=O)N1CCN(CCCCOc2cc(C)n(n2)-c2ccc3ccccc3c2)CC1 Show InChI InChI=1S/C24H30N4O2/c1-19-17-24(25-28(19)23-10-9-21-7-3-4-8-22(21)18-23)30-16-6-5-11-26-12-14-27(15-13-26)20(2)29/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3 | PDB
UniProtKB/SwissProt
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| 296 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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| 328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Binding affinity to human 5HT2B receptor |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396358
(CHEMBL2170056)Show SMILES CC(=O)c1c(C)n(nc1OCCN1CCOCC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H21Cl2N3O3/c1-12-17(13(2)24)18(26-10-7-22-5-8-25-9-6-22)21-23(12)14-3-4-15(19)16(20)11-14/h3-4,11H,5-10H2,1-2H3 | PDB
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| 741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396370
(CHEMBL2170074)Show InChI InChI=1S/C17H18Cl2N4O/c1-13-10-17(24-9-3-2-7-22-8-6-20-12-22)21-23(13)14-4-5-15(18)16(19)11-14/h4-6,8,10-12H,2-3,7,9H2,1H3 | PDB
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| 854 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396362
(CHEMBL2170208)Show SMILES Clc1ccc(cc1Cl)-n1ccc(OCCOS(=O)(=O)CCN2CCOCC2)n1 Show InChI InChI=1S/C17H21Cl2N3O5S/c18-15-2-1-14(13-16(15)19)22-4-3-17(20-22)26-10-11-27-28(23,24)12-7-21-5-8-25-9-6-21/h1-4,13H,5-12H2 | PDB
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| Article
PubMed
| 879 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396357
(CHEMBL2170057)Show InChI InChI=1S/C16H21N3O2/c1-14-13-16(17-19(14)15-5-3-2-4-6-15)21-12-9-18-7-10-20-11-8-18/h2-6,13H,7-12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396356
(CHEMBL2170058)Show InChI InChI=1S/C17H23N3O3/c1-14-13-17(23-12-9-19-7-10-22-11-8-19)18-20(14)15-3-5-16(21-2)6-4-15/h3-6,13H,7-12H2,1-2H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396377
(CHEMBL2170045)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)23(21-16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396371
(CHEMBL2170073)Show SMILES Cc1cc(OCCCCn2ccc3c2CCCC3=O)nn1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H23Cl2N3O2/c1-15-13-22(25-27(15)16-7-8-18(23)19(24)14-16)29-12-3-2-10-26-11-9-17-20(26)5-4-6-21(17)28/h7-9,11,13-14H,2-6,10,12H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396342
(CHEMBL2170047)Show InChI InChI=1S/C20H21N3O3/c1-15-12-19(26-11-9-22-8-10-25-14-20(22)24)21-23(15)18-7-6-16-4-2-3-5-17(16)13-18/h2-7,12-13H,8-11,14H2,1H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50396349
(CHEMBL2170065)Show InChI InChI=1S/C13H23N3O2/c1-13(2,3)16-5-4-12(14-16)18-11-8-15-6-9-17-10-7-15/h4-5H,6-11H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396376
(CHEMBL2170225)Show InChI InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)13-2-3-14(17)15(18)11-13/h2-3,10-11H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396374
(CHEMBL2170232)Show SMILES CCOC(=O)N1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C19H24Cl2N4O3/c1-3-27-19(26)24-8-6-23(7-9-24)10-11-28-18-12-14(2)25(22-18)15-4-5-16(20)17(21)13-15/h4-5,12-13H,3,6-11H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396373
(CHEMBL2170213)Show SMILES CC(=O)C1CCN(CCOc2ccn(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C18H21Cl2N3O2/c1-13(24)14-4-7-22(8-5-14)10-11-25-18-6-9-23(21-18)15-2-3-16(19)17(20)12-15/h2-3,6,9,12,14H,4-5,7-8,10-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
Reactome pathway
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5HT2B receptor |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396375
(CHEMBL2170231)Show SMILES CN1CCN(CCOc2cc(C)n(n2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C17H22Cl2N4O/c1-13-11-17(24-10-9-22-7-5-21(2)6-8-22)20-23(13)14-3-4-15(18)16(19)12-14/h3-4,11-12H,5-10H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396344
(CHEMBL2170070)Show SMILES C[C@H]1CN(CCOc2cc(C)n(n2)-c2ccc3ccccc3c2)C[C@@H](C)O1 |r| Show InChI InChI=1S/C22H27N3O2/c1-16-12-22(26-11-10-24-14-17(2)27-18(3)15-24)23-25(16)21-9-8-19-6-4-5-7-20(19)13-21/h4-9,12-13,17-18H,10-11,14-15H2,1-3H3/t17-,18+ | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
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PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP3A4 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
KEGG
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C8 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2E1
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP2E1 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2D6 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396338
(CHEMBL2170051)Show InChI InChI=1S/C16H19Cl2N3OS/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)13-2-3-14(17)15(18)11-13/h2-3,10-11H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C8 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396353
(CHEMBL2170061)Show InChI InChI=1S/C16H19Cl2N3O2/c1-12-10-16(23-9-6-20-4-7-22-8-5-20)19-21(12)15-3-2-13(17)11-14(15)18/h2-3,10-11H,4-9H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2B6 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396348
(CHEMBL2170066)Show InChI InChI=1S/C15H25N3O2/c1-2-4-14(5-3-1)18-7-6-15(16-18)20-13-10-17-8-11-19-12-9-17/h6-7,14H,1-5,8-13H2 | PDB
MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2E1
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2E1 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50396351
(CHEMBL2170063)Show InChI InChI=1S/C19H21N3O2/c1-2-4-17-15-18(6-5-16(17)3-1)22-8-7-19(20-22)24-14-11-21-9-12-23-13-10-21/h1-8,15H,9-14H2 | PDB
MMDB
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KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG transfected in HEK293 cell membranes by whole cell patch clamp assay |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C9 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
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KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP2C19 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP2B6 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50396352
(CHEMBL2170062)Show InChI InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant CYP1A2 |
J Med Chem 55: 8211-24 (2012)
Article DOI: 10.1021/jm3007323
BindingDB Entry DOI: 10.7270/Q2Z89DJM |
More data for this
Ligand-Target Pair | |
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