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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Saccharopepesin' and Ligand = 'BDBM50113828'   
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
Saccharopepesin


(Saccharomyces cerevisiae)
BDBM50113828
PNG
(CHEMBL311322 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Show SMILES CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
3.74E+3n/an/an/an/an/an/an/an/a



University of Parma

Curated by ChEMBL


Assay Description
Binding affinity against saccharopepsin


J Med Chem 45: 2469-83 (2002)


BindingDB Entry DOI: 10.7270/Q28916J7
More data for this
Ligand-Target Pair