Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase ESS1' and Ligand = 'BDBM53401'   

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))	BDBM53401 ((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...) Show SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1 |c:4| Show InChI InChI=1S/C24H26ClNO2/c1-3-17-10-7-11-19-22(17)24(27)26(15-16-8-5-4-6-9-16)23(19)18-12-13-21(28-2)20(25)14-18/h4-9,11-14,17,19,22-23H,3,10,15H2,1-2H3/t17-,19+,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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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