BDBM586429 Amodiaquin::BDBM50041457::USRE49340, Rank 6

SMILES: CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl

InChI Key: InChIKey=OVCDSSHSILBFBN-UHFFFAOYSA-N

Data: 1 KI  30 IC50  1 Kd  8 EC50

PDB links: 3 PDB IDs match this monomer.

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 40 hits for monomerid = 586429   

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
Phosphoethanolamine N-methyltransferase (malaria parasite P. falciparum)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.35E+6	n/a	n/a	n/a	n/a	n/a	n/a
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Phosphoethanolamine N-methyltransferase 1 (Caenorhabditis elegans)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+6	n/a	n/a	n/a	n/a	8.0	25
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Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Histidine-rich protein PFHRP-II (malaria parasite P. falciparum)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.90E+8	n/a	n/a	n/a	n/a	n/a	n/a
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Histidine-rich protein PFHRP-II (malaria parasite P. falciparum)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Heparanase (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	5.26E+4	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2J2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C19 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 4 group A member 2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a
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Phosphoethanolamine N-methyltransferase 2 (Caenorhabditis elegans)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10E+6	n/a	n/a	n/a	n/a	8.0	25
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Orf1a protein (MERS-CoV)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
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Orf1a protein (MERS-CoV)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.21E+3	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (SARS-CoV)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a
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Replicase polyprotein 1ab (2019-nCoV)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
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D-amino-acid oxidase (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	9.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Bile salt export pump (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Amyloid-beta precursor protein (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 4 group A member 2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 4 group A member 2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	8.20E+4	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 4 group A member 2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
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Nuclear receptor subfamily 4 group A member 2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Cytochrome P450 3A4 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 1A2 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C8 (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine N-methyltransferase (Human)	BDBM586429 (Amodiaquin | USRE49340, Rank 6 | BDBM50041457) Show SMILES Show InChI	GoogleScholar	UniChem		19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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