BDBM50158203 Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-2,4a,11b-trimethyl-1-(3-phenyl-propyl)-1,2,3,4,4a,b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl]-ethyl ester::CHEMBL362446
SMILES: C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCCc4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O
InChI Key: InChIKey=AFEGSFWAVVEGCD-CMZXHQBKSA-N
Data: 1 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 |
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Potassium voltage-gated channel subfamily A member 3 (Homo sapiens (Human)) | BDBM50158203 (Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of voltage-gated potassium channel subunit Kv1.3 in chinese hamster ovary cells | Bioorg Med Chem Lett 15: 447-51 (2004) Article DOI: 10.1016/j.bmcl.2004.10.058 BindingDB Entry DOI: 10.7270/Q2BP0281 | |||||||||||
More data for this Ligand-Target Pair |