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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'insulin-degrading enzyme isoform 1 precursor' and Ligand = 'BDBM209042'   
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
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens (Human))
BDBM209042
PNG
(US9243038, 16)
Show SMILES CC1(C)NC(=O)\C=C\C(=O)NC(CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(N)=O
Show InChI InChI=1S/C39H50N6O7/c1-39(2)38(52)44-31(23-25-11-5-3-6-12-25)37(51)43-30(24-26-16-18-28(19-17-26)34(48)27-13-7-4-8-14-27)36(50)41-22-10-9-15-29(35(40)49)42-32(46)20-21-33(47)45-39/h4,7-8,13-14,16-21,25,29-31H,3,5-6,9-12,15,22-24H2,1-2H3,(H2,40,49)(H,41,50)(H,42,46)(H,43,51)(H,44,52)(H,45,47)/b21-20+/t29?,30-,31+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 370n/an/an/an/an/an/a



President and Fellows of Harvard College

US Patent


Assay Description
Macrocycles were assayed for IDE inhibition by monitoring cleavage of a substrate peptide containing a fluorophore-quencher pair such that cleavage o...


US Patent US9243038 (2016)


BindingDB Entry DOI: 10.7270/Q2MW2FZV
More data for this
Ligand-Target Pair