Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase ESS1' and Ligand = 'BDBM53406'   

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
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53406 ((6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphen...) Show SMILES COc1ccc(cc1)C1\C=C/CN(CC(=O)N1Cc1ccc(F)cc1)C(=O)c1ccccc1 |c:10| Show InChI InChI=1S/C27H25FN2O3/c1-33-24-15-11-21(12-16-24)25-8-5-17-29(27(32)22-6-3-2-4-7-22)19-26(31)30(25)18-20-9-13-23(28)14-10-20/h2-16,25H,17-19H2,1H3/b8-5-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
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