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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50002087   

TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Dainippon Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50002087(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory activity against 5-lipoxygenase in guinea pig leukocyteMore data for this Ligand-Target Pair
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PubMed
TargetHistamine H1 receptor(Human)
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50002087(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation countingMore data for this Ligand-Target Pair
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PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50002087(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Affinity DataIC50: 4.29E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Human)
Dainippon Sumitomo Pharma

Curated by ChEMBL
LigandPNGBDBM50002087(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Affinity DataKi:  0.158nMAssay Description:Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Guinea pig)
Kyowa Hakko Kogyo

Curated by ChEMBL
LigandPNGBDBM50002087(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Affinity DataKi:  0.310nMAssay Description:The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed