BDBM50079527 (3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine::CHEMBL101740::DOXEPIN::cis-doxepin

SMILES: CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3

InChI Key: InChIKey=ODQWQRRAPPTVAG-UHFFFAOYSA-N

Data: 33 KI  4 IC50

PDB links: 1 PDB ID matches 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 37 hits for monomerid = 50079527   

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 voltage-gated channel subfamily H member 2 (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H1 receptor (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.00300	n/a	n/a	n/a	n/a	n/a	n/a
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Alpha-1A adrenergic receptor (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.0100	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H2 receptor (Guinea pig)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Histamine H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0900	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 H1 receptor (Guinea pig)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.160	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 H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.170	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 H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.178	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 H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.251	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 H1 receptor (Guinea pig)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.280	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 H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.320	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 H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.490	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 H1 receptor (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	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 H1 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2C (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		8.80	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)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Alpha-1A adrenergic receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		23.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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5-hydroxytryptamine receptor 2A (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 2C (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Sodium-dependent noradrenaline transporter (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		29.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Muscarinic acetylcholine receptor M1 (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		38	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)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		52	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
Sodium-dependent serotonin transporter (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		68	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)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		75	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)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 6 (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Histamine H4 receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		106	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
Sodium-dependent serotonin transporter (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		126	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
Sodium-dependent serotonin transporter (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		126	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
5-hydroxytryptamine receptor 6 (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		136	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
Muscarinic acetylcholine receptor M2 (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		160	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
Sodium-dependent serotonin transporter (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		201	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
5-hydroxytryptamine receptor 1A (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		276	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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D(2) dopamine receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		360	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
Muscarinic acetylcholine receptor M2 (Rat)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		710	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
Alpha-2A adrenergic receptor (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) Show SMILES Show InChI	GoogleScholar	UniChem		1.27E+3	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
Sodium-dependent dopamine transporter (Human)	BDBM50079527 (CHEMBL101740 | cis-doxepin | DOXEPIN | (3E)-3-dibe...) 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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