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)) | BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) | 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 non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50251208 (CHEMBL4088272) | 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 intracellular receptor 2 (Homo sapiens (Human)) | BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) | 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 | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50253157 ((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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...) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304165 (CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50253157 ((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...) | 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...) | 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...) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304168 ((2S)-2-amino-4-(((2S,3S,4S)-3-fluoro-4,5-dihydroxy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Homo sapiens (Human)) | BDBM50251208 (CHEMBL4088272) | 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...) | 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...) | 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 | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM24226 (1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...) | 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...) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304169 ((2S)-2-amino-4-(((2R,3S,4S)-3-bromo-4,5-dihydroxyt...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
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...) | 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...) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304166 (CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50100587 ((2R,3R,4S,5R)-2-(6-Amino-5-nitro-pyrimidin-4-ylami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nucleic Acid Research Institute Curated by ChEMBL | Assay Description Inhibition of adenosine kinase from undialyzed W1-L2 lysate (0-50 uM) | J Med Chem 31: 786-90 (1988) Checked by Author BindingDB Entry DOI: 10.7270/Q20R9PZF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) | 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...) | 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...) | 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...) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304165 (CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) | 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...) | 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 M2 (Homo sapiens (Human)) | BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) | 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 M3 (Homo sapiens (Human)) | BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...) | 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)) | BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...) | 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...) | 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...) | 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...) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304166 (CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304169 ((2S)-2-amino-4-(((2R,3S,4S)-3-bromo-4,5-dihydroxyt...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50251208 (CHEMBL4088272) | 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 | |||||||||||||
S-ribosylhomocysteine lyase (Bacillus subtilis) | BDBM50304167 (CHEMBL610483 | S-(3,5-Dideoxy-3-fluoro-1-O-methyl-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Florida International University Curated by ChEMBL | Assay Description Inhibition of Bacillus subtilis LuxS assessed as enzyme-inhibitor dissociation constant | Bioorg Med Chem 17: 6699-706 (2009) Article DOI: 10.1016/j.bmc.2009.07.057 BindingDB Entry DOI: 10.7270/Q2PZ58XS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) | 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 |
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