BDBM22893 CHEMBL512::Ranitidine::ZANTAC::dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine

SMILES: CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1

InChI Key: InChIKey=HZIQBJWHRYXWSD-UHFFFAOYSA-O

Data: 12 KI  11 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 23 hits for monomerid = 22893   

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
Potassium-transporting ATPase alpha chain 1/subunit beta (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
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Multidrug and toxin extrusion protein 1 (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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ATP-dependent translocase ABCB1 (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) 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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ATP-dependent translocase ABCB1 (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) 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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ATP-dependent translocase ABCB1 (Mouse)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) 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)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) 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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ATP-dependent translocase ABCB1 (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) 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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ATP-dependent translocase ABCB1 (Mouse)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) 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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Histamine H2 receptor (Guinea pig)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H2 receptor (Guinea pig)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H2 receptor (Guinea pig)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Hrh3 protein (Rat)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H4 receptor (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H4 receptor (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H3 receptor (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H3 receptor (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Nischarin (Rat)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Hrh3 protein (Rat)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H1 receptor (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Histamine H1 receptor (Human)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
Hrh3 protein (Rat)	BDBM22893 (CHEMBL512 | dimethyl[(5-{[(2-{[(E)-1-(methylamino)...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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