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 FUMARATE::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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glutathione reductase (GR) (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | 800 | -8.31 | 1.20E+4 | n/a | n/a | n/a | n/a | 8.0 | 25 |
Ataturk University | Assay 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... | J Enzyme Inhib Med Chem 27: 18-23 (2012) Article DOI: 10.3109/14756366.2011.572879 BindingDB Entry DOI: 10.7270/Q20K27GD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Glucose 6-phosphate dehydrogenase (G6PD) (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | 5.20E+3 | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University | Assay Description Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc... | J Enzyme Inhib Med Chem 25: 871-5 (2010) Article DOI: 10.3109/14756360903489581 BindingDB Entry DOI: 10.7270/Q24M93D3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
6-phosphogluconate dehydrogenase (6PGD) (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | DrugBank Article PubMed | 8.30E+3 | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ataturk University | Assay 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... | J Enzyme Inhib Med Chem 25: 476-9 (2010) Article DOI: 10.3109/14756360903257900 BindingDB Entry DOI: 10.7270/Q21V5CV6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H4 receptor (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | US Patent | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BRIDGE PHARMA, INC. US Patent | Assay Description The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine... | US Patent US9333199 (2016) BindingDB Entry DOI: 10.7270/Q2639NMV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-5 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q24B2ZW9 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H4 receptor (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
BRIDGE PHARMA, INC. US Patent | Assay Description Histamine H-4 Receptor Binding Assay | US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | DrugBank US Patent | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BRIDGE PHARMA, INC. US Patent | Assay Description Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th... | US Patent US9138431 (2015) BindingDB Entry DOI: 10.7270/Q26W98WT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | DrugBank US Patent | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
BRIDGE PHARMA, INC. US Patent | Assay Description The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine... | US Patent US9333199 (2016) BindingDB Entry DOI: 10.7270/Q2639NMV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (BSEP) (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.38E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Rattus norvegicus) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up... | Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | DrugBank Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Phrama. Co. Ltd Curated by ChEMBL | Assay Description Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting | Bioorg Med Chem Lett 19: 2766-71 (2009) Article DOI: 10.1016/j.bmcl.2009.03.124 BindingDB Entry DOI: 10.7270/Q2GM87BK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.29E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
perilipin-1 (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2CV4GBF | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay 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 ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human)) | BDBM94597 ((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2736PH3 | ||||||||||||
More data for this Ligand-Target Pair |