BDBM50263324 CHEMBL513893::trans-5'-Methoxy-3'-oxo-3'H-spiro[cyclohexane-1,1'-isobenzofuran]-4-carboxylic acid methyl-(2-piperidin-1-yl-ethyl)-amide
SMILES: COc1ccc2c(c1)C(=O)O[C@]21CC[C@@H](CC1)C(=O)N(C)CCN1CCCCC1
InChI Key: InChIKey=AEWLECDUIOHVBW-QBNMFFNISA-N
Data: 5 IC50
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)) | BDBM50263324 (CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of (R)-alpha-methylhistamine-induced [35S]GTPgammaS binding | Bioorg Med Chem Lett 18: 5101-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.125 BindingDB Entry DOI: 10.7270/Q2PC3268 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50263324 (CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth... | Bioorg Med Chem Lett 18: 5101-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.125 BindingDB Entry DOI: 10.7270/Q2PC3268 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H4 receptor (Homo sapiens (Human)) | BDBM50263324 (CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Inhibition of histamine H4 receptor (unknown origin) | Bioorg Med Chem Lett 18: 5101-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.125 BindingDB Entry DOI: 10.7270/Q2PC3268 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H2 Receptor (Homo sapiens (Human)) | BDBM50263324 (CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Inhibition of histamine H2 receptor (unknown origin) | Bioorg Med Chem Lett 18: 5101-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.125 BindingDB Entry DOI: 10.7270/Q2PC3268 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50263324 (CHEMBL513893 | trans-5'-Methoxy-3'-oxo-3'H-spiro[c...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tsukuba Research Institute Curated by ChEMBL | Assay Description Inhibition of histamine H1 receptor (unknown origin) | Bioorg Med Chem Lett 18: 5101-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.125 BindingDB Entry DOI: 10.7270/Q2PC3268 | |||||||||||
More data for this Ligand-Target Pair |