BDBM50324086 CHEMBL1214893::N-(Benzofuran-2-ylmethyl)-N'-(4'-(3''-fluoropropoxy)benzyl)-piperazine
SMILES: FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1
InChI Key: InChIKey=SPOINIWQULRMHV-UHFFFAOYSA-N
Data: 5 KI
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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Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.61 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma1 receptor in guinea pig brain homogenate | Bioorg Med Chem Lett 22: 5493-7 (2012) Article DOI: 10.1016/j.bmcl.2012.07.026 BindingDB Entry DOI: 10.7270/Q2FF3TDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney Curated by ChEMBL | Assay Description Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate | J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 232 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney Curated by ChEMBL | Assay Description Binding affinity to 5HT2B | J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sydney Curated by ChEMBL | Assay Description Binding affinity to 5HT1A | J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50324086 (CHEMBL1214893 | N-(Benzofuran-2-ylmethyl)-N'-(4'-(...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
University of Sydney Curated by ChEMBL | Assay Description Binding affinity to dopamine D2 | J Med Chem 53: 6228-39 (2010) Article DOI: 10.1021/jm100639f BindingDB Entry DOI: 10.7270/Q2V1250J | |||||||||||
More data for this Ligand-Target Pair |