BDBM50378566 CHEMBL571411

SMILES: CC1=C(\C=C\c2ccc(\C=C\C(O)=O)cc2)C(C)(C)CCC1

InChI Key: InChIKey=ONIZREAONFMGNP-DCIPZJNNSA-N

Data: 1 Kd

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 = 50378566   

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)	BDBM50378566 (CHEMBL571411) Show SMILES CC1=C(\C=C\c2ccc(\C=C\C(O)=O)cc2)C(C)(C)CCC1 |c:1| Show InChI InChI=1S/C20H24O2/c1-15-5-4-14-20(2,3)18(15)12-10-16-6-8-17(9-7-16)11-13-19(21)22/h6-13H,4-5,14H2,1-3H3,(H,21,22)/b12-10+,13-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	153	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