Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50033327   

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
Albumin (Rattus norvegicus)	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Binding affinity to high-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assay				J Med Chem 54: 2592-601 (2011) Article DOI: 10.1021/jm1008924 BindingDB Entry DOI: 10.7270/Q2NS0V6G
					More data for this Ligand-Target Pair
Albumin (Rattus norvegicus)	BDBM50249522 (2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(me...) Show SMILES CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(c2)-c2ccccn2)c(Cl)c1 Show InChI InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.71E+5	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Binding affinity to high-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assay				J Med Chem 54: 2592-601 (2011) Article DOI: 10.1021/jm1008924 BindingDB Entry DOI: 10.7270/Q2NS0V6G
					More data for this Ligand-Target Pair