BDBM50467780 CHEBI:5801::HYDROXYCHLOROQUINE::Hydroxychloroquine::med.21724, Compound 9

SMILES: CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12

InChI Key: InChIKey=XXSMGPRMXLTPCZ-UHFFFAOYSA-N

Data: 12 KI  3 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50467780   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 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
					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 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
					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 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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor 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 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
					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 UniProtKB/SwissProt UniProtKB/TrEMBL 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
					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 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
					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)	PDB MMDB B.MOAD DrugBank 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
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (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 UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Activity of compound against Muscarinic acetylcholine receptor M1 (CHRM1) by displacement of 3H-QNB				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9
					More data for this Ligand-Target Pair
Adrenergic receptor (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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Activity of compound against Alpha 2C (ADRA2C) adrenergic receptor by displacement of [3H]-rauwolscine				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor 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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Activity of compound against Muscarinic acetylcholine receptor M5 (CHRM5) by displacement of 3H-QNB				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9
					More data for this Ligand-Target Pair
Adrenergic receptor (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
QBI COVID-19 Research Group (QCRG) Curated by ChEMBL					Assay Description Activity of compound against Alpha 2B (ADRA2B) adrenergic receptor by displacement of [3H]-rauwolscine				Nature 583: 459-468 (2020) Article DOI: 10.1038/s41586-020-2286-9
					More data for this Ligand-Target Pair
Genome polyprotein (Zika virus)	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 NCI pathway Reactome pathway KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	PubMed	9.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Australian National University Curated by ChEMBL					Assay Description Inhibition of Zika virus NS2B-NS3 protease				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Toll-like receptor 9 (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 antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR9 expressed in HEK-Blue cells assessed as reduction in CpGB-induced NF-kappaB levels after 24 hrs by spectrophotometr...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
3C-like proteinase (MERS-CoV)	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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.27E+3	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	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 MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.96E+3	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Toll-like receptor 7 (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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as inhibition of CL264-induced NFkappaB activation by measuring reduction in S...				J Med Chem 63: 4776-4789 (2020) Article DOI: 10.1021/acs.jmedchem.0c00011
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem		n/a	n/a	3.58E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Toll-like receptor 7 (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 UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Indian Institute of Chemical Biology Curated by ChEMBL					Assay Description Antagonist activity at human TLR7 expressed in HEK-Blue cells assessed as reduction in CL264-induced NF-kappaB levels after 24 hrs by spectrophotomet...				Eur J Med Chem 159: 187-205 (2018) Article DOI: 10.1016/j.ejmech.2018.09.058 BindingDB Entry DOI: 10.7270/Q2C2504D
					More data for this Ligand-Target Pair