BDBM50095890 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol::2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol::CHEMBL716::QUETIAPINE

SMILES: OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12

InChI Key: InChIKey=URKOMYMAXPYINW-UHFFFAOYSA-N

Data: 205 KI  12 IC50  1 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 218 hits for monomerid = 50095890   

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
Bile salt export pump (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 3 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 2 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATP-binding cassette sub-family C member 4 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	330	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 M1 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histamine H1 receptor (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Bacillus anthracis)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.02E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Sodium channel protein type 5 subunit alpha (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Guinea pig)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C (Guinea pig)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.04E+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 H1 receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		2.20	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 (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		4.5	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
Alpha-1A adrenergic receptor (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		7	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/Alpha-1B/Alpha-1D adrenergic receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		7	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 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		8.10	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		8.70	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
D(3) dopamine receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		9.20	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
Histone H1.0 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		10	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		11	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/Alpha-1B/Alpha-1D adrenergic receptor (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		13	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
D(2) dopamine receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		16	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		19	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		19	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		19	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 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		20	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		21	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		21	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 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		22	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-2C adrenergic receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		28.7	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		31	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		31	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		33	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		33	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		40	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		56	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 M1 (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		56	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 (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		58	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/Alpha-1B/Alpha-1D adrenergic receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		58	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		63	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)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		63	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
D(2) dopamine receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		63	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
D(2) dopamine receptor (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		69	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
D(2) dopamine receptor (Rat)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		69	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
D(2) dopamine receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		69	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
D(2) dopamine receptor (Human)	BDBM50095890 (2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-...) Show SMILES Show InChI	GoogleScholar	UniChem		78	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