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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 = 'BDBM209052'   
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))
BDBM209052
PNG
(US9243038, 29)
Show SMILES NC(=O)CC[C@@H]1NC(=O)\C=C/C(=O)NNCCCCC(NCCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC1=O)C(=O)COCCOCCOOc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1
Show InChI InChI=1S/C69H80N8O16/c70-61(80)29-28-55-66(85)76-57(39-44-13-3-1-4-14-44)67(86)75-56(40-45-20-22-47(23-21-45)64(83)46-15-5-2-6-16-46)65(84)72-33-12-11-32-71-54(19-9-10-34-73-77-63(82)31-30-62(81)74-55)58(79)43-89-36-35-88-37-38-90-93-49-25-27-53-60(42-49)91-59-41-48(78)24-26-52(59)69(53)51-18-8-7-17-50(51)68(87)92-69/h2,5-8,15-18,20-27,30-31,41-42,44,54-57,71,73,78H,1,3-4,9-14,19,28-29,32-40,43H2,(H2,70,80)(H,72,84)(H,74,81)(H,75,86)(H,76,85)(H,77,82)/b31-30-/t54?,55-,56+,57-,69?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/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