BDBM50002087 4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one(Ketotifen hydrogen malate)::4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one(Ketotifen)::4-(1-methyl-piperidin-4-ylidene)-4,9-dihydro-1-thia-benzo[f]azulen-10-one::CHEMBL534::KETOTIFEN::Zaditor

SMILES: [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12

InChI Key: InChIKey=ZQMBAHCSYLHPAM-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50002087   

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)	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
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Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+5	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)	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	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)	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES Show InChI	GoogleScholar	UniChem		0.158	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 (Guinea pig)	BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) Show SMILES Show InChI	GoogleScholar	UniChem		0.310	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