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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase ESS1' and Ligand = 'BDBM53408'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase ESS1


(Saccharomyces cerevisiae (Baker's yeast))
BDBM53408
PNG
((2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl...)
Show SMILES CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C27H30N4O4/c1-18(2)14-22(27(34)35-16-19-8-4-3-5-9-19)30-25(32)23-24(29-17-28-23)26(33)31-13-12-20-10-6-7-11-21(20)15-31/h3-11,17-18,22H,12-16H2,1-2H3,(H,28,29)(H,30,32)/t22-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.50E+3n/an/an/an/a7.00



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
More data for this
Ligand-Target Pair