BDBM50296171 1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-dihydro-2H-4lambda*6*-benzo[1,4]oxathiin-2-yl)-phenoxy]-propyl}-pyrrolidine::CHEMBL560386

SMILES: COc1cccc2c1O[C@H]([C@H](C)S2(=O)=O)c1ccc(OCCCN2CCCC2)cc1

InChI Key: InChIKey=CHCVZZOPCAVWNV-UHFFFAOYSA-N

Data: 5 KI  12 IC50

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 17 hits for monomerid = 50296171   

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
Histamine H2 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	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)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H3 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H3 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2C9 (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 2D6 (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Cytochrome P450 3A4 (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H4 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H1 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H3 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H3 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H3 receptor (Human)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H3 receptor (Rat)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H3 receptor (Mouse)	BDBM50296171 (1-{3-[4-((2S,3S)-8-Methoxy-3-methyl-4,4-dioxo-3,4-...) Show SMILES Show InChI	GoogleScholar	UniChem		5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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