BDBM50330748 1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dibenzo[a,d]-cyclohepten]-3-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic Acid::CHEMBL1277935
SMILES: OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21
InChI Key: InChIKey=SKOALCKWENTDHG-TUXUZCGSSA-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 (RAT) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of [3H]pyrilamine from histamine H1 receptor in Sprague-Dawley rat cortical membrane by liquid scintillation counting | 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 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 19.9 | 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 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 25.1 | 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 | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human CYP2C19 transfected in bactosome expression system by spectrofluorometry | 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 | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | 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 | >3.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of [3H]dofetilide from human ERG by scintillation proximity 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 | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human CYP2D6 transfected in bactosome expression system by spectrofluorometry | 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 | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human CYP3A4 transfected in bactosome expression system by spectrofluorometry | 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 | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 transfected in bactosome expression system by spectrofluorometry | 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 | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50330748 (1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dib...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of human CYP2C9 transfected in bactosome expression system by spectrofluorometry | 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 |