Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase ESS1' and Ligand = 'BDBM53402'   

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))	BDBM53402 ((3R,3aR,7aR)-2-benzyl-3-(1-bromo-2-naphthyl)-7a-me...) Show SMILES C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1Br |c:4| Show InChI InChI=1S/C26H24BrNO/c1-26-16-8-7-13-22(26)24(28(25(26)29)17-18-9-3-2-4-10-18)21-15-14-19-11-5-6-12-20(19)23(21)27/h2-7,9-15,22,24H,8,16-17H2,1H3/t22-,24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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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