Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-lactoglobulin'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 MCE 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)
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