BDBM50269055 (4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl]methanone::CHEMBL497031
SMILES: CC(C)N1CCC(CC1)Oc1ccc2n(C(C)C)c(cc2c1)C(=O)N1CCC(F)(F)CC1
InChI Key: InChIKey=DXBRVISEKVIIAR-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Displacement of [3H]-RAMH from human histamine H3 receptor | Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting | J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2D6 | Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | 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 | 5 | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay | J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | 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 | 2 | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding | Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Inhibition of CYP2C9 | Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
F Hoffmann-La Roche Ltd Curated by ChEMBL | Assay Description Inhibition of CYP3A4 | Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N | |||||||||||
More data for this Ligand-Target Pair |