BindingDB logo
myBDB logout

BDBM209025 US9243038, 5a (cis olefin)::US9243038, 5b (trans olefin)

SMILES: NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1

InChI Key: InChIKey=FFJICIDEVUQXRQ-ZCHKFXGQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 209025   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM209025
PNG
(US9243038, 5a (cis olefin) | US9243038, 5b (trans ...)
Show SMILES NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1
Show InChI InChI=1S/C41H52N6O7/c42-38(51)31-13-7-8-22-43-39(52)32(24-28-16-18-30(19-17-28)37(50)29-11-5-2-6-12-29)46-41(54)34(23-26-9-3-1-4-10-26)47-40(53)33(25-27-14-15-27)45-36(49)21-20-35(48)44-31/h2,5-6,11-12,16-21,26-27,31-34H,1,3-4,7-10,13-15,22-25H2,(H2,42,51)(H,43,52)(H,44,48)(H,45,49)(H,46,54)(H,47,53)/b21-20+/t31-,32+,33-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+3n/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
insulin-degrading enzyme isoform 1 precursor


(Homo sapiens)
BDBM209025
PNG
(US9243038, 5a (cis olefin) | US9243038, 5b (trans ...)
Show SMILES NC(=O)[C@@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC2CC2)NC(=O)\C=C\C(=O)N1
Show InChI InChI=1S/C41H52N6O7/c42-38(51)31-13-7-8-22-43-39(52)32(24-28-16-18-30(19-17-28)37(50)29-11-5-2-6-12-29)46-41(54)34(23-26-9-3-1-4-10-26)47-40(53)33(25-27-14-15-27)45-36(49)21-20-35(48)44-31/h2,5-6,11-12,16-21,26-27,31-34H,1,3-4,7-10,13-15,22-25H2,(H2,42,51)(H,43,52)(H,44,48)(H,45,49)(H,46,54)(H,47,53)/b21-20+/t31-,32+,33-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>2.00E+4n/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