Found 1591 hits with Last Name = 'hubert' and Initial = 'm' 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 |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50240829
(CHEMBL3559801)Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leipzig University
Curated by ChEMBL
| Assay Description Effect on pancreatic polypeptide-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK... |
J Med Chem 60: 7605-7612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00976 BindingDB Entry DOI: 10.7270/Q22B915R |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50251208
(CHEMBL4088272)Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50240829
(CHEMBL3559801)Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leipzig University
Curated by ChEMBL
| Assay Description Effect on neuropeptide Y-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell... |
J Med Chem 60: 7605-7612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00976 BindingDB Entry DOI: 10.7270/Q22B915R |
More data for this Ligand-Target Pair | |
Neuropeptide Y receptor type 4
(Homo sapiens (Human)) | BDBM50240829
(CHEMBL3559801)Show InChI InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Leipzig University
Curated by ChEMBL
| Assay Description Effect on peptide YY-mediated displacement of 125I-pancreatic polypeptide from human C-terminal eYFP-tagged NY4 receptor expressed in HEK293 cell mem... |
J Med Chem 60: 7605-7612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00976 BindingDB Entry DOI: 10.7270/Q22B915R |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50418303
(CHEMBL1765959)Show SMILES CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1 |r,c:6| Show InChI InChI=1S/C28H34O/c1-3-4-5-8-17-24-20-25-26(29)18-19-28(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26,29H,2-5,8,17-20H2,1H3/t25-,26+,28-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50253157
((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...)Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H26ClNO/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 479 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50251208
(CHEMBL4088272)Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma intracellular receptor 2
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE KEGG 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 |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-DTG from the Sigma2 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Nuclear receptor subfamily 5 group A member 2
(Homo sapiens (Human)) | BDBM50417870
(CHEMBL5271417)Show SMILES CCOc1nc2ccccc2nc1C(=O)N1CCN(CC1)c1ccc(OC)cc1 Show InChI InChI=1S/C22H24N4O3/c1-3-29-21-20(23-18-6-4-5-7-19(18)24-21)22(27)26-14-12-25(13-15-26)16-8-10-17(28-2)11-9-16/h4-11H,3,12-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Sigma non-opioid intracellular receptor 1
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Displacement of [3H]-pentazocin from the Sigma1 receptor |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M5
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M3 (CHRM3) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M2 (CHRM2) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M4 (CHRM4) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50467780
(CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...)Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE KEGG PC cid PC sid UniChem
| Article PubMed
| 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50251208
(CHEMBL4088272)Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 8.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha-2A (ADRA2A) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(Homo sapiens (Human)) | BDBM50048866
(1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...)Show InChI InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 9.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50251208
(CHEMBL4088272)Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description hERG binding assays: Displacement of [3H]-Dofetilide (5 nM final) from hERG membranes obtained from HEK293 cells |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM22985
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(Homo sapiens (Human)) | BDBM50251208
(CHEMBL4088272)Show InChI InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
QBI COVID-19 Research Group (QCRG)
Curated by ChEMBL
| Assay Description Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine |
Nature 583: 459-468 (2020)
Article DOI: 10.1038/s41586-020-2286-9 BindingDB Entry DOI: 10.7270/Q29Z984K |
More data for this Ligand-Target Pair | |