BDBM50092056 (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol::Afaxin::Alphalin::CHEMBL986::Chocola A::Retinol::all-trans-retinol::all-trans-retinyl alcohol::all-trans-vitamin A alcohol
SMILES: C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
InChI Key: InChIKey=FPIPGXGPPPQFEQ-OVSJKPMPSA-N
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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Beta-lactoglobulin (Bos taurus) | BDBM50092056 ((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents | PDB Article PubMed | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a |
University of Helsinki Curated by ChEMBL | Assay Description Binding affinity to bovine beta-lactoglobulins by fluorescence spectroscopy | J Med Chem 53: 514-8 (2010) Article DOI: 10.1021/jm901309r BindingDB Entry DOI: 10.7270/Q27M08WZ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |