Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'meyer' and Initial = 'b'   

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...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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 UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50251208 (CHEMBL4088272) Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	PC cid PC sid PDB UniChem Similars	PDB 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)
					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...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					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 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 UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and 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 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					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 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	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					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 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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and 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 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	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and 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 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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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 UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					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	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					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	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and 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 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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 UniProtKB/SwissProt antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50253157 ((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...) Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 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	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50253157 ((+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-ph...) Show SMILES CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 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	MMDB B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
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 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304165 (CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI 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)
Adrenergic receptor (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
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 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 UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					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...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1F)C(O)=O Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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) Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 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	PC cid PC sid PDB UniChem Similars	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)
					More data for this Ligand-Target Pair
Sigma intracellular receptor 2 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					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 Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	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)
					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...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1Br)C(O)=O Show InChI InChI=1S/C9H16BrNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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)	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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	MMDB B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	KEGG UniProtKB/SwissProt GoogleScholar	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304166 (CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@H]1F)C(O)=O Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6-,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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...) Show SMILES Nc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[N+]([O-])=O Show InChI InChI=1S/C9H13N5O6/c10-7-4(14(18)19)8(12-2-11-7)13-9-6(17)5(16)3(1-15)20-9/h2-3,5-6,9,15-17H,1H2,(H3,10,11,12,13)/t3-,5-,6-,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Article DOI: 10.1021/jm00399a017 BindingDB Entry DOI: 10.7270/Q20R9PZF
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					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 SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304165 (CHEMBL593446 | S-(5-Deoxy-D-xylofuranos-5-yl)-L-ho...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C(O)=O Show InChI InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEBI 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)	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	MMDB B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 and M3 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50048866 (1-Cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydro-na...) Show SMILES COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M5 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens)	BDBM50467780 (CHEBI:5801 | HYDROXYCHLOROQUINE | Hydroxychloroqui...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	MMDB B.MOAD DrugBank GoogleScholar	KEGG PC cid PC sid UniChem	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)
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304166 (CHEMBL593447 | S-(3,5-Dideoxy-3-fluoro-D-xylofuran...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@H]1F)C(O)=O Show InChI InChI=1S/C9H16FNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6-,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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...) Show SMILES N[C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1Br)C(O)=O Show InChI InChI=1S/C9H16BrNO5S/c10-6-5(16-9(15)7(6)12)3-17-2-1-4(11)8(13)14/h4-7,9,12,15H,1-3,11H2,(H,13,14)/t4-,5+,6+,7+,9?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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)	BDBM50251208 (CHEMBL4088272) Show SMILES CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 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	MMDB B.MOAD DrugBank GoogleScholar	PC cid PC sid PDB UniChem Similars	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)
					More data for this Ligand-Target Pair
S-ribosylhomocysteine lyase (Bacillus subtilis)	BDBM50304167 (CHEMBL610483 | S-(3,5-Dideoxy-3-fluoro-1-O-methyl-...) Show SMILES COC1O[C@H](CSCC[C@H](N)C(O)=O)[C@H](F)[C@H]1O Show InChI InChI=1S/C10H18FNO5S/c1-16-10-8(13)7(11)6(17-10)4-18-3-2-5(12)9(14)15/h5-8,10,13H,2-4,12H2,1H3,(H,14,15)/t5-,6+,7-,8+,10?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	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 and M3 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 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)	Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	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)
					More data for this Ligand-Target Pair

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