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SMILES: CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC

InChI Key: InChIKey=BRKMRNSILIJOQW-OAHLLOKOSA-N

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 3 hits for monomerid = 298322   
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
Neprilysin


(Homo sapiens (Human))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC |r|
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<1n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10123984 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DVB
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC |r|
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10123984 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DVB
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298322
PNG
(US10123984, Example 14A | US10123984, Example 14C ...)
Show SMILES CCOC(=O)[C@@H](CN(Cc1ccc(Br)cc1)NC(=O)C(=O)OCC)OC(=O)C(=O)OCC |r|
Show InChI InChI=1S/C20H25BrN2O9/c1-4-29-17(25)15(32-20(28)19(27)31-6-3)12-23(22-16(24)18(26)30-5-2)11-13-7-9-14(21)10-8-13/h7-10,15H,4-6,11-12H2,1-3H3,(H,22,24)/t15-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
3.55n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...


US Patent US10123984 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DVB
More data for this
Ligand-Target Pair