BDBM50131360 3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL90943
SMILES: C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
InChI Key: InChIKey=MUUSOYWTPTTZII-RMKNXTFCSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50131360 (3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50131360 (3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2B adrenergic receptor (Homo sapiens (Human)) | BDBM50131360 (3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50131360 (3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL | Assay Description In vitro binding affinity towards rat serotonin transporter | Bioorg Med Chem Lett 13: 2719-25 (2003) BindingDB Entry DOI: 10.7270/Q2T43SGC | |||||||||||
More data for this Ligand-Target Pair |