Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50040825 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)) | BDBM50400743
(CHEMBL2203549)Show SMILES COC(=O)[C@]1(C[C@H]1CN(C)C12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,TLB:8:10:13.12.17:15,THB:11:12:15:19.10.18,11:10:13.12.17:15,8:10:13:17.16.15,18:10:13:17.16.15,18:16:13:19.11.10| Show InChI InChI=1S/C23H31NO2/c1-24(22-11-16-8-17(12-22)10-18(9-16)13-22)15-20-14-23(20,21(25)26-2)19-6-4-3-5-7-19/h3-7,16-18,20H,8-15H2,1-2H3/t16?,17?,18?,20-,22?,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50035131
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1| Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1 | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50064957
(CHEMBL76806 | N-(1-Benzyl-piperidin-4-yl)-2-(2-flu...)Show InChI InChI=1S/C20H23FN2O/c21-19-9-5-4-8-17(19)14-20(24)22-18-10-12-23(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,22,24) | PDB
UniProtKB/SwissProt
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| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50400742
(CHEMBL2165453)Show InChI InChI=1S/C15H18N2O3/c1-2-6-14(7-3-1)18-11-13-9-15(20-17-13)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB
UniProtKB/SwissProt
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(RAT) | 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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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB MMDB
KEGG
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| 9.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2* nAChR in rat forebrain after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-4
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
UniProtKB/SwissProt
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50400741
(CHEMBL2165447)Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
UniProtKB/SwissProt
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha3beta2 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50400741
(CHEMBL2165447)Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50028091
((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)Show InChI InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | PDB
UniProtKB/SwissProt
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
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| Article PubMed
| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity to sigma 1 receptor |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha2/beta4
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
UniProtKB/SwissProt
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| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50400741
(CHEMBL2165447)Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human recombinant NET after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human recombinant NET after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha3beta4 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(RAT) | BDBM50400740
(CHEMBL2165452)Show InChI InChI=1S/C14H16N2O3/c1-2-4-13(5-3-1)17-10-12-8-14(19-16-12)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 328 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pentazocine from sigma 1 receptor in rat brain membrane after 2.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 373 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35428 from human recombinant DAT after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor; alpha2/beta4
(Homo sapiens (Human)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha2beta4 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2B
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5-HT2B receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Histamine H2 receptor
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]tiotidine from human recombinant histamine H2 receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-4
(Homo sapiens (Human)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta4 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha3beta4 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50400741
(CHEMBL2165447)Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Rattus norvegicus (Rat)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha4beta2* nAChR in rat forebrain after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-2/beta-2
(Homo sapiens (Human)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]Iodopindolol from beta 2 adrenergic receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50400741
(CHEMBL2165447)Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 6
(Homo sapiens (Human)) | BDBM50400741
(CHEMBL2165447)Show InChI InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)17-10-13-8-14(16-19-13)18-9-11-6-7-15-11/h1-5,8,11,15H,6-7,9-10H2/t11-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]LSD from human recombinant 5-HT6 receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-2
(Homo sapiens (Human)) | BDBM50400739
(CHEMBL2203550)Show InChI InChI=1S/C13H14ClN3O3/c14-9-3-11(6-15-5-9)18-8-12-4-13(17-20-12)19-7-10-1-2-16-10/h3-6,10,16H,1-2,7-8H2/t10-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from alpha3beta2 nAChR after 4 hrs by liquid scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |
Histamine H1 receptor
(Homo sapiens (Human)) | BDBM50400738
(CHEMBL2203551)Show InChI InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor after 1.5 hrs by microbeta scintillation counting analysis |
ACS Med Chem Lett 3: 1054-1058 (2012)
Article DOI: 10.1021/ml3002715 BindingDB Entry DOI: 10.7270/Q25M66WS |
More data for this Ligand-Target Pair | |