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=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 |
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Histamine H1 receptor (Homo sapiens (Human)) | BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Antagonist activity against human histamine H1 receptor expressed in CHO cells by FLIPR assay | J Med Chem 53: 7778-95 (2010) Article DOI: 10.1021/jm100856p BindingDB Entry DOI: 10.7270/Q2FQ9WWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Cavia porcellus (domestic guinea pig)) | BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL | Assay Description The compound was tested in vitro for binding affinity against histamine H1 receptor from guinea pig cerebellum, using [3H]pyrilamine as radioligand a... | J Med Chem 35: 2074-84 (1992) BindingDB Entry DOI: 10.7270/Q2N87BC0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >4.29E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-... | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Arachidonate 5-lipoxygenase (Homo sapiens (Human)) | BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Inhibitory activity against 5-lipoxygenase in guinea pig leukocyte | J Med Chem 32: 583-93 (1989) BindingDB Entry DOI: 10.7270/Q2N878R3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50002087 (4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma. Co., Ltd Curated by ChEMBL | Assay Description Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting | Bioorg Med Chem 19: 3005-21 (2011) Article DOI: 10.1016/j.bmc.2011.03.003 BindingDB Entry DOI: 10.7270/Q23T9HJM | |||||||||||
More data for this Ligand-Target Pair |