BDBM50467780 CHEBI:5801::Hydroxychloroquine::acs.jmedchem.1c00409_ST.817::med.21724, Compound 9

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

InChI Key: InChIKey=XXSMGPRMXLTPCZ-UHFFFAOYSA-N

Data: 12 KI  7 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 22 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 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orf1a protein (MERS-CoV)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.27E+3	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
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Cyclic GMP-AMP synthase (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Toll-like receptor 7 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
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Toll-like receptor 7 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	740	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (SARS-CoV)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	7.96E+3	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.58E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Toll-like receptor 9 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
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Toll-like receptor 7 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
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Sigma non-opioid intracellular receptor 1 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Sigma intracellular receptor 2 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Muscarinic acetylcholine receptor M3 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Muscarinic acetylcholine receptor M2 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Muscarinic acetylcholine receptor M4 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2A adrenergic receptor (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Muscarinic acetylcholine receptor M1 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		1.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2C adrenergic receptor (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Muscarinic acetylcholine receptor M5 (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-2B adrenergic receptor (Human)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Nonstructural protein 3 (ZIKV)	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | med.21724, Compo...) Show SMILES Show InChI	GoogleScholar	UniChem		9.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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