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BDBM298316 US10123984, Example 11-1::US10744104, Example 11-1

SMILES: C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O)C(O)=O

InChI Key: InChIKey=CCBIZVJWACUURY-VFNWGFHPSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 298316   
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))
BDBM298316
PNG
(US10123984, Example 11-1 | US10744104, Example 11-...)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H22FNO6/c1-21(12-24,20(28)29)11-15(23-18(25)19(26)27)10-13-6-8-14(9-7-13)16-4-2-3-5-17(16)22/h2-9,15,24H,10-12H2,1H3,(H,23,25)(H,26,27)(H,28,29)/t15-,21+/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 US10744104 (2020)

More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM298316
PNG
(US10123984, Example 11-1 | US10744104, Example 11-...)
Show SMILES C[C@@](CO)(C[C@@H](Cc1ccc(cc1)-c1ccccc1F)NC(=O)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H22FNO6/c1-21(12-24,20(28)29)11-15(23-18(25)19(26)27)10-13-6-8-14(9-7-13)16-4-2-3-5-17(16)22/h2-9,15,24H,10-12H2,1H3,(H,23,25)(H,26,27)(H,28,29)/t15-,21+/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