BDBM94597 (Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one::(Z)-but-2-enedioate;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one::10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;maleate::Ketotifen::Ketotifen fumarate::MLS002222254::SMR001307257::US9138431, KETOTIFEN::US9333199, KETOTIFEN::cid_45479747::cid_5282408

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

InChI Key InChIKey=ZCVMWBYGMWKGHF-UHFFFAOYSA-N

Data  4 KI  19 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 94597   

TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  800nM ΔG°:  -8.31kcal/mole IC50:  1.20E+4nMpH: 8.0 T: 2°CAssay Description:GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  5.20E+3nM IC50:  8.00E+3nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target6-phosphogluconate dehydrogenase, decarboxylating(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  8.30E+3nM IC50:  8.40E+3nMAssay Description:In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetHistamine H4 receptor(Homo sapiens (Human))
Bridge Pharma

US Patent
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  2.10E+4nMAssay Description:The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  1.20E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  1.21E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHistamine H4 receptor(Homo sapiens (Human))
Bridge Pharma

US Patent
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  2.10E+4nMAssay Description:Histamine H-4 Receptor Binding AssayMore data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHistamine H1 receptor(Homo sapiens (Human))
Bridge Pharma

US Patent
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  2.30E+3nMAssay Description:Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Bridge Pharma

US Patent
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  2.30E+3nMAssay Description:The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...More data for this Ligand-Target Pair
In DepthDetails US PatentDrugBank

TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  7.38E+5nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Rattus norvegicus)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Bridge Pharma

US Patent
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  1nMAssay Description:Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  1.29E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50:  1.58E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHepatocyte nuclear factor 4-alpha(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >3.98E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHepatocyte nuclear factor 4-alpha(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataIC50: >3.98E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay