BDBM50131358 3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazol-3-ylmethyl)-piperazin-1-yl]-1-phenyl-propan-1-one::CHEMBL328735
SMILES: COc1cc2OCC3C(CN4CCN(CCC(=O)c5ccccc5)CC4)ON=C3c2cc1OC
InChI Key: InChIKey=AWPNMWRTPSQMFC-UHFFFAOYSA-N
Data: 3 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-2C adrenergic receptor (Homo sapiens (Human)) | BDBM50131358 (3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.30 | 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-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50131358 (3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | 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 | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50131358 (3-[4-(7,8-Dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 123 | 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 |