BDBM50326287 2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)ethyl)pyridine::CHEMBL1243335
SMILES: CC(C)(C)c1ccc(SCC(c2cnc[nH]2)c2ccccn2)cc1
InChI Key: InChIKey=UNQMLUWBMWGIRY-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 H3 receptor (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H4 receptor (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Binding affinity to human histamine H4 receptor | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Binding affinity to human histamine H1 receptor | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 receptor (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Binding affinity to human histamine H2 receptor | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP1A2 | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50326287 (2-(2-(4-tert-Butylphenylthio)-1-(1H-imidazol-4-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd. Curated by ChEMBL | Assay Description Agonist activity at human histamine H3 receptor expressed in CHO cells assessed as [35S]GTPgammaS binding | J Med Chem 53: 6445-56 (2010) Article DOI: 10.1021/jm100643t BindingDB Entry DOI: 10.7270/Q2QF8T3X | |||||||||||
More data for this Ligand-Target Pair |