BDBM78940 METHIOTHEPIN::MLS000859918::Methiothepin mesylate salt::SMR000326779::cid_3039995::mesylic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine::methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine::methanesulfonic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine

SMILES: CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1

InChI Key: InChIKey=RLJFTICUTYVZDG-UHFFFAOYSA-N

Data: 131 KI  13 IC50  5 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 150 hits for monomerid = 78940   

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
Ubiquitin-conjugating enzyme E2 N (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
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G protein-coupled receptor (HHV-5)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
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G protein-coupled receptor (HHV-5)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	331	n/a	n/a	n/a	n/a
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G-protein coupled receptor homolog US28 (HHV-5)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	355	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
G-protein coupled receptor homolog US28 (HHV-5)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	350	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.820	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
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					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	127	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.10	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.5	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.70	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	21	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)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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5-hydroxytryptamine receptor 2A (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Guinea pig)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.0600	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 2A (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.100	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 1B (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.190	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 1B (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.200	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 2A (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.25	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.300	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.300	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 2C (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.340	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)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.380	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 7 (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.380	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 7 (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.380	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)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.390	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.390	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) 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
5-hydroxytryptamine receptor 6 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.420	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-1A adrenergic receptor (Guinea pig)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Alpha-1B adrenergic receptor (Pig)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.5	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.550	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 (Mouse)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.560	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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5-hydroxytryptamine receptor 1D (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.580	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 2B (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.580	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 7 (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) 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
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5-hydroxytryptamine receptor 7 (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	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)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.900	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 7 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.900	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.933	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 6 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		0.977	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 7 (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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 7 (Rat)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	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 (Human)	BDBM78940 (methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...) Show SMILES Show InChI	GoogleScholar	UniChem		1	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
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