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: 33 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)	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
Beta-lactoglobulin (Bos taurus)	BDBM50092056 ((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 |c:12| 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/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)