BDBM50146504 (3R,3aS)-3-[4-(3-Furan-2-yl-2-methyl-allyl)-piperazin-1-ylmethyl]-7,8-dimethoxy-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole::CHEMBL99916
SMILES: COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccco5)CC4)ON=C3c2cc1OC
InChI Key: InChIKey=KSQAWHREGPMSBF-FJEUJEQTSA-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)) | BDBM50146504 ((3R,3aS)-3-[4-(3-Furan-2-yl-2-methyl-allyl)-pipera...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | 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 to human alpha-2C adrenergic receptor | Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50146504 ((3R,3aS)-3-[4-(3-Furan-2-yl-2-methyl-allyl)-pipera...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article 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 to the human alpha-2A adrenergic receptor | Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50146504 ((3R,3aS)-3-[4-(3-Furan-2-yl-2-methyl-allyl)-pipera...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 21 | 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 serotonin transporter | Bioorg Med Chem Lett 14: 2917-22 (2004) Article DOI: 10.1016/j.bmcl.2004.03.031 BindingDB Entry DOI: 10.7270/Q20864SM | |||||||||||
More data for this Ligand-Target Pair |