Found 69 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)) | BDBM50077877
(CHEMBL3417042 | US9611229, 2)Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077891
(CHEMBL3417066 | US9611229, 12)Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2 | PDB
UniProtKB/SwissProt
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| Article
PubMed
| 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
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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| 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077886
(CHEMBL3417058 | US9611229, 9)Show InChI InChI=1S/C16H21Cl2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2 | PDB
UniProtKB/SwissProt
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| 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077899
(CHEMBL3417052 | US9611229, 13)Show InChI InChI=1S/C16H22FN5/c17-14-6-5-7-15(12-14)22-13-16(19-20-22)18-8-11-21-9-3-1-2-4-10-21/h5-7,12-13,18H,1-4,8-11H2 | PDB
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| 12 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077905
(CHEMBL3417068 | US9611229, 33)Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-6-22-5-1-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2 | PDB
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| 13 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
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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| Article
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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077892
(CHEMBL3417067 | US9611229, 15)Show InChI InChI=1S/C17H25N5/c1-2-7-12-21(11-6-1)13-10-18-17-15-22(20-19-17)14-16-8-4-3-5-9-16/h3-5,8-9,15,18H,1-2,6-7,10-14H2 | PDB
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PubMed
| 23 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077881
(CHEMBL3417047 | US9611229, 47)Show InChI InChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
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PubMed
| 31 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077878
(CHEMBL3417043 | US9611229, 3)Show InChI InChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
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| 31 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077889
(CHEMBL3417061 | US9611229, 37)Show InChI InChI=1S/C16H21F2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2 | PDB
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| Article
PubMed
| 33 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077888
(CHEMBL3417060 | US9611229, 18)Show InChI InChI=1S/C16H22FN5/c17-15-6-4-5-14(11-15)12-22-13-16(19-20-22)18-7-10-21-8-2-1-3-9-21/h4-6,11,13,18H,1-3,7-10,12H2 | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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| Article
PubMed
| 35 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077883
(CHEMBL3417054 | US9611229, 32)Show InChI InChI=1S/C15H20FN5O/c16-13-3-1-4-14(11-13)21-12-15(18-19-21)17-5-7-20-6-2-9-22-10-8-20/h1,3-4,11-12,17H,2,5-10H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| 36 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
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
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| Article
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| 39 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077893
(CHEMBL3417069 | US9611229, 40)Show InChI InChI=1S/C16H19F4N5/c17-13-2-1-12(9-14(13)18)10-25-11-15(22-23-25)21-5-8-24-6-3-16(19,20)4-7-24/h1-2,9,11,21H,3-8,10H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| 46 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077882
(CHEMBL3417049 | US9611229, 5)Show InChI InChI=1S/C14H17Cl2N5O/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2 | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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UniChem
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| Article
PubMed
| 46 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077885
(CHEMBL3417057 | US9611229, 4)Show InChI InChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2 | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| 49 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077887
(CHEMBL3417059 | US9611229, 17)Show InChI InChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2 | PDB
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| 52 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077900
(CHEMBL3417053 | US9611229, 31)Show InChI InChI=1S/C20H29FN6/c21-17-5-4-8-19(15-17)27-16-20(23-24-27)22-9-10-25-11-13-26(14-12-25)18-6-2-1-3-7-18/h4-5,8,15-16,18,22H,1-3,6-7,9-14H2 | PDB
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| 56 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077880
(CHEMBL3417045 | US9611229, 46)Show InChI InChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 58 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077890
(CHEMBL3417063 | US9611229, 7)Show InChI InChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2 | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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| Article
PubMed
| 61 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077879
(CHEMBL3417044 | US9611229, 39)Show InChI InChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 62 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077884
(CHEMBL3417055 | US9611229, 43)Show InChI InChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 70 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077869
(CHEMBL3417078 | US9611229, 6)Show SMILES C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:19:18:15:21.20.22,19:20:17.18.23:15,23:18:21:14.15.22,11:14:21:17.18.19| Show InChI InChI=1S/C18H29N5O/c1(2-22-3-5-24-6-4-22)19-17-13-23(21-20-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16,19H,1-12H2 | PDB
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| 97 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077862
(CHEMBL3417071 | US9611229, 49)Show SMILES C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1 |r| Show InChI InChI=1S/C18H26FN5/c1-14-4-3-5-15(2)24(14)11-10-20-18-13-23(22-21-18)12-16-6-8-17(19)9-7-16/h6-9,13-15,20H,3-5,10-12H2,1-2H3/t14-,15+ | PDB
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| 99 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077894
(CHEMBL3417070 | US9611229, 41)Show InChI InChI=1S/C16H20F3N5/c17-14-3-1-13(2-4-14)11-24-12-15(21-22-24)20-7-10-23-8-5-16(18,19)6-9-23/h1-4,12,20H,5-11H2 | PDB
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| 105 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077872
(CHEMBL3417081 | US9611229, 64)Show SMILES CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:21:20:17:23.22.24,21:22:19.20.25:17,25:20:23:16.17.24,13:16:23:19.20.21| Show InChI InChI=1S/C20H33N5O/c1-2-24(4-3-23-5-7-26-8-6-23)19-15-25(22-21-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,2-14H2,1H3 | PDB
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| 111 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077895
(CHEMBL3417046 | US9611229, 48)Show InChI InChI=1S/C15H20FN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2 | PDB
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| 144 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077867
(CHEMBL3417076 | US9611229, 23)Show InChI InChI=1S/C15H19Cl2N5O/c16-13-3-2-12(10-14(13)17)22-11-15(19-20-22)18-4-1-5-21-6-8-23-9-7-21/h2-3,10-11,18H,1,4-9H2 | PDB
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| 194 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077870
(CHEMBL3417079 | US9611229, 65)Show InChI InChI=1S/C16H21Cl2N5O/c1-2-22(6-5-21-7-9-24-10-8-21)16-12-23(20-19-16)13-3-4-14(17)15(18)11-13/h3-4,11-12H,2,5-10H2,1H3 | PDB
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| 216 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077876
(CHEMBL3417085 | US9611229, 68)Show SMILES CCCNC(=S)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H24Cl2N6OS/c1-2-5-21-18(28)25(7-6-24-8-10-27-11-9-24)17-13-26(23-22-17)14-3-4-15(19)16(20)12-14/h3-4,12-13H,2,5-11H2,1H3,(H,21,28) | PDB
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| 241 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077896
(CHEMBL3417048 | US9611229, 50)Show InChI InChI=1S/C15H19F2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
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| 273 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077901
(CHEMBL3417056 | US9611229, 51)Show SMILES CC(=O)N1CCN(CCNc2cn(nn2)-c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C16H20Cl2N6O/c1-12(25)23-8-6-22(7-9-23)5-4-19-16-11-24(21-20-16)13-2-3-14(17)15(18)10-13/h2-3,10-11,19H,4-9H2,1H3 | PDB
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| 275 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077873
(CHEMBL3417082)Show SMILES CC(=O)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C16H19Cl2N5O2/c1-12(24)22(5-4-21-6-8-25-9-7-21)16-11-23(20-19-16)13-2-3-14(17)15(18)10-13/h2-3,10-11H,4-9H2,1H3 | PDB
UniProtKB/SwissProt
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| 388 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077871
(CHEMBL3417080)Show InChI InChI=1S/C17H23Cl2N5O/c1-2-5-23(7-6-22-8-10-25-11-9-22)17-13-24(21-20-17)14-3-4-15(18)16(19)12-14/h3-4,12-13H,2,5-11H2,1H3 | PDB
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| 451 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077874
(CHEMBL3417083)Show SMILES CC(=O)N(CCN1CCOCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)nn1 Show InChI InChI=1S/C17H21Cl2N5O2/c1-13(25)24(5-4-22-6-8-26-9-7-22)17-12-23(21-20-17)11-14-2-3-15(18)16(19)10-14/h2-3,10,12H,4-9,11H2,1H3 | PDB
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| 459 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077866
(CHEMBL3417075)Show InChI InChI=1S/C16H21Cl2N5O/c17-14-3-2-13(10-15(14)18)11-23-12-16(20-21-23)19-4-1-5-22-6-8-24-9-7-22/h2-3,10,12,19H,1,4-9,11H2 | PDB
UniProtKB/SwissProt
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| 508 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077903
(CHEMBL3417064)Show InChI InChI=1S/C15H20FN5O/c16-14-3-1-13(2-4-14)11-21-12-15(18-19-21)17-5-6-20-7-9-22-10-8-20/h1-4,12,17H,5-11H2 | PDB
UniProtKB/SwissProt
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| 662 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077863
(CHEMBL3417072)Show InChI InChI=1S/C15H23N5/c1-3-19(4-2)11-10-16-15-13-20(18-17-15)12-14-8-6-5-7-9-14/h5-9,13,16H,3-4,10-12H2,1-2H3 | PDB
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| 701 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077897
(CHEMBL3417050)Show InChI InChI=1S/C14H18FN5O/c15-12-2-1-3-13(10-12)20-11-14(17-18-20)16-4-5-19-6-8-21-9-7-19/h1-3,10-11,16H,4-9H2 | PDB
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PubMed
| 781 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077865
(CHEMBL3417074)Show SMILES CC(=O)N1CCN(CCNc2cn(Cc3ccc(Cl)c(Cl)c3)nn2)CC1 Show InChI InChI=1S/C17H22Cl2N6O/c1-13(26)24-8-6-23(7-9-24)5-4-20-17-12-25(22-21-17)11-14-2-3-15(18)16(19)10-14/h2-3,10,12,20H,4-9,11H2,1H3 | PDB
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| 818 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077904
(CHEMBL3417065)Show InChI InChI=1S/C15H19F2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2 | PDB
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PubMed
| 878 | 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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077898
(CHEMBL3417051)Show InChI InChI=1S/C14H17F2N5O/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2 | PDB
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| >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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077875
(CHEMBL3417084)Show SMILES CS(=O)(=O)N(CCN1CCOCC1)c1cn(nn1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H19Cl2N5O3S/c1-26(23,24)22(5-4-20-6-8-25-9-7-20)15-11-21(19-18-15)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3 | PDB
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| >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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077868
(CHEMBL3417077)Show InChI InChI=1S/C14H25N5O/c1-2-4-13(5-3-1)19-12-14(16-17-19)15-6-7-18-8-10-20-11-9-18/h12-13,15H,1-11H2 | PDB
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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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077902
(CHEMBL3417062)Show InChI InChI=1S/C15H21N5O/c1-2-4-14(5-3-1)12-20-13-15(17-18-20)16-6-7-19-8-10-21-11-9-19/h1-5,13,16H,6-12H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50077864
(CHEMBL3417073)Show InChI InChI=1S/C16H24N6/c1-20-9-11-21(12-10-20)8-7-17-16-14-22(19-18-16)13-15-5-3-2-4-6-15/h2-6,14,17H,7-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.62E+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 cells after 120 mins by liquid scintillation counting |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077862
(CHEMBL3417071 | US9611229, 49)Show SMILES C[C@H]1CCC[C@@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1 |r| Show InChI InChI=1S/C18H26FN5/c1-14-4-3-5-15(2)24(14)11-10-20-18-13-23(22-21-18)12-16-6-8-17(19)9-7-16/h6-9,13-15,20H,3-5,10-12H2,1-2H3/t14-,15+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077877
(CHEMBL3417042 | US9611229, 2)Show InChI InChI=1S/C15H19Cl2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077881
(CHEMBL3417047 | US9611229, 47)Show InChI InChI=1S/C15H19F2N5/c16-13-5-4-12(10-14(13)17)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077886
(CHEMBL3417058 | US9611229, 9)Show InChI InChI=1S/C16H21Cl2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077879
(CHEMBL3417044 | US9611229, 39)Show InChI InChI=1S/C15H20ClN5/c16-13-4-6-14(7-5-13)21-12-15(18-19-21)17-8-11-20-9-2-1-3-10-20/h4-7,12,17H,1-3,8-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077891
(CHEMBL3417066 | US9611229, 12)Show InChI InChI=1S/C17H23Cl2N5/c18-15-6-5-14(11-16(15)19)12-24-13-17(21-22-24)20-7-10-23-8-3-1-2-4-9-23/h5-6,11,13,20H,1-4,7-10,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077878
(CHEMBL3417043 | US9611229, 3)Show InChI InChI=1S/C15H19Cl2N5/c16-12-4-5-14(13(17)10-12)22-11-15(19-20-22)18-6-9-21-7-2-1-3-8-21/h4-5,10-11,18H,1-3,6-9H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077880
(CHEMBL3417045 | US9611229, 46)Show InChI InChI=1S/C15H20FN5/c16-13-5-4-6-14(11-13)21-12-15(18-19-21)17-7-10-20-8-2-1-3-9-20/h4-6,11-12,17H,1-3,7-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Esteve
Curated by ChEMBL
| Assay Description
Inhibition of human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077869
(CHEMBL3417078 | US9611229, 6)Show SMILES C(CN1CCOCC1)Nc1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:23:14:21:17.18.19,THB:19:18:15:21.20.22,19:20:17.18.23:15,23:18:21:14.15.22,11:14:21:17.18.19| Show InChI InChI=1S/C18H29N5O/c1(2-22-3-5-24-6-4-22)19-17-13-23(21-20-17)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-16,19H,1-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077885
(CHEMBL3417057 | US9611229, 4)Show InChI InChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077883
(CHEMBL3417054 | US9611229, 32)Show InChI InChI=1S/C15H20FN5O/c16-13-3-1-4-14(11-13)21-12-15(18-19-21)17-5-7-20-6-2-9-22-10-8-20/h1,3-4,11-12,17H,2,5-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077892
(CHEMBL3417067 | US9611229, 15)Show InChI InChI=1S/C17H25N5/c1-2-7-12-21(11-6-1)13-10-18-17-15-22(20-19-17)14-16-8-4-3-5-9-16/h3-5,8-9,15,18H,1-2,6-7,10-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077894
(CHEMBL3417070 | US9611229, 41)Show InChI InChI=1S/C16H20F3N5/c17-14-3-1-13(2-4-14)11-24-12-15(21-22-24)20-7-10-23-8-5-16(18,19)6-9-23/h1-4,12,20H,5-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077890
(CHEMBL3417063 | US9611229, 7)Show InChI InChI=1S/C15H19Cl2N5O/c16-13-2-1-12(9-14(13)17)10-22-11-15(19-20-22)18-3-4-21-5-7-23-8-6-21/h1-2,9,11,18H,3-8,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077888
(CHEMBL3417060 | US9611229, 18)Show InChI InChI=1S/C16H22FN5/c17-15-6-4-5-14(11-15)12-22-13-16(19-20-22)18-7-10-21-8-2-1-3-9-21/h4-6,11,13,18H,1-3,7-10,12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077889
(CHEMBL3417061 | US9611229, 37)Show InChI InChI=1S/C16H21F2N5/c17-14-5-4-13(10-15(14)18)11-23-12-16(20-21-23)19-6-9-22-7-2-1-3-8-22/h4-5,10,12,19H,1-3,6-9,11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077882
(CHEMBL3417049 | US9611229, 5)Show InChI InChI=1S/C14H17Cl2N5O/c15-12-2-1-11(9-13(12)16)21-10-14(18-19-21)17-3-4-20-5-7-22-8-6-20/h1-2,9-10,17H,3-8H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
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
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
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 human ERG expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077893
(CHEMBL3417069 | US9611229, 40)Show InChI InChI=1S/C16H19F4N5/c17-13-2-1-12(9-14(13)18)10-25-11-15(22-23-25)21-5-8-24-6-3-16(19,20)4-7-24/h1-2,9,11,21H,3-8,10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077887
(CHEMBL3417059 | US9611229, 17)Show InChI InChI=1S/C16H22FN5/c17-15-6-4-14(5-7-15)12-22-13-16(19-20-22)18-8-11-21-9-2-1-3-10-21/h4-7,13,18H,1-3,8-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077884
(CHEMBL3417055 | US9611229, 43)Show InChI InChI=1S/C15H17F4N5/c16-12-2-1-11(9-13(12)17)24-10-14(21-22-24)20-5-8-23-6-3-15(18,19)4-7-23/h1-2,9-10,20H,3-8H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50077872
(CHEMBL3417081 | US9611229, 64)Show SMILES CCN(CCN1CCOCC1)c1cn(nn1)C12CC3CC(CC(C3)C1)C2 |TLB:25:16:23:19.20.21,THB:21:20:17:23.22.24,21:22:19.20.25:17,25:20:23:16.17.24,13:16:23:19.20.21| Show InChI InChI=1S/C20H33N5O/c1-2-24(4-3-23-5-7-26-8-6-23)19-15-25(22-21-19)20-12-16-9-17(13-20)11-18(10-16)14-20/h15-18H,2-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 expressed in CHO cells at -80 mV holding potential by whole cell patch clamp assay |
J Med Chem 58: 2441-51 (2015)
Article DOI: 10.1021/jm501920g
BindingDB Entry DOI: 10.7270/Q29C704N |
More data for this
Ligand-Target Pair | |
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