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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

Data: 1 Kd

PDB links: 27 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50092056   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Beta-lactoglobulin


(Bos taurus)
BDBM50092056
PNG
((2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclo...)
Show SMILES C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
Show InChI InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
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/an/an/a 36n/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)