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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1 | -50.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 | |||||||||||||
Tryptase beta-2 (Homo sapiens (Human)) | BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM16304 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5.20 | -46.8 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 5.60 | -46.6 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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 | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50022238 ((R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphat...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia Curated by ChEMBL | Assay Description Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr by spectrophotometry | J Med Chem 55: 10272-6 (2012) Article DOI: 10.1021/jm300850v BindingDB Entry DOI: 10.7270/Q2P2708R | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 23 | -43.2 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16305 (2-(1H-imidazol-2-ylmethyl)-1H-1,3-benzodiazole-6-c...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 23.1 | -43.1 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 23.5 | -43.1 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16308 (2-(isoquinolin-1-yl)-1H-1,3-benzodiazole-6-carboxi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 41 | -41.7 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase beta-2 (Homo sapiens (Human)) | BDBM16304 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 50 | -41.3 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
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 | |||||||||||||
Tryptase beta-2 (Homo sapiens (Human)) | BDBM16303 (2-(1H-1,3-benzodiazol-2-ylmethyl)-1H-1,3-benzodiaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 69.5 | -40.4 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
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 | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM16127 (2,2 -methanediylbis(1H-benzimidazole-6-carboximida...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 90 | -39.8 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
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 | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50008294 (2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16304 (2-(1H-1,3-benzodiazol-2-ylcarbonyl)-1H-1,3-benzodi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 101 | -39.5 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
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 | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50077837 (3-(3-Chloro-4-hydroxy-phenyl)-3-hydroxy-6-nitro-3H...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tryptase beta-2 (Homo sapiens (Human)) | BDBM16307 (2-(pyridin-2-ylmethyl)-1H-1,3-benzodiazole-6-carbo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 310 | -36.8 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16309 (2-(quinolin-8-yl)-1H-1,3-benzodiazole-6-carboximid...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents | Article PubMed | 321 | -36.7 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM16305 (2-(1H-imidazol-2-ylmethyl)-1H-1,3-benzodiazole-6-c...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 666 | -34.9 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM18763 (1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50077852 (6-Chloro-3,3-bis-(4-hydroxy-phenyl)-3H-benzo[de]is...) | 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 |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM16306 (2-(pyridin-2-yl)-1H-1,3-benzodiazole-6-carboximida...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 721 | -34.7 | n/a | n/a | n/a | n/a | n/a | 8.2 | 22 |
Arris | Assay Description Enzymes were incubated with inhibitors at eight inhibitor concentrations bracketing the Ki, prepared by serial dilution along with control lacking th... | Nature 391: 608-12 (1998) Article DOI: 10.1038/35422 BindingDB Entry DOI: 10.7270/Q29P2ZW9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM18764 (1,8-naphthalein derivative, 11 | 8-chloro-4,4-bis(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
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 | |||||||||||||
Thymidylate synthase (Lactobacillus casei) | BDBM18753 (4,4-bis(3-bromo-4-hydroxyphenyl)-10-chloro-3-oxatr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 800 | -34.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 20 |
University of California at San Francisco | Assay Description TS was assayed spectrophotometrically in the reaction buffer solution containing (6R, 6S)-5, 10-CH2H4folate. The reaction was initiated by the additi... | Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) Article DOI: 10.1107/S0907444905022638 BindingDB Entry DOI: 10.7270/Q2WS8RHG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Thymidylate synthase (Escherichia coli) | BDBM50077849 (3,3-Bis-(4-hydroxy-phenyl)-6-nitro-3H-benzo[de]iso...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Modena e Reggio Emilia Curated by ChEMBL | Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase. | J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5 | |||||||||||
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 | |||||||||||||
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 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 | |||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM50399277 (CHEMBL2180553) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia Curated by ChEMBL | Assay Description Inhibition of human thymidylate synthase expressed in Escherichia coli incubated for 1 hr using varying mTHF levels by spectrophotometry based Linewe... | J Med Chem 55: 10272-6 (2012) Article DOI: 10.1021/jm300850v BindingDB Entry DOI: 10.7270/Q2P2708R | |||||||||||
More data for this Ligand-Target Pair |
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