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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.9
BDBM299386

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Neprilysin


(Homo sapiens (Human))
BDBM299386
PNG
((2S,4S)-2-Aminomethyl-5-(5′-chloro-2′-...)
Show SMILES CCOC(=O)[C@H](CN)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1c[nH]nn1
Show InChI InChI=1S/C23H25ClFN5O3/c1-2-33-23(32)16(12-26)10-18(28-22(31)21-13-27-30-29-21)9-14-3-5-15(6-4-14)19-11-17(24)7-8-20(19)25/h3-8,11,13,16,18H,2,9-10,12,26H2,1H3,(H,28,31)(H,27,29,30)/t16-,18+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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



Theravence Biopharma R&D IP, LLC

US Patent


Assay Description
Recombinant human NEP and recombinant human ACE were obtained commercially (R&D Systems, Minneapolis, Minn., catalog numbers 1182-ZN and 929-ZN, resp...


US Patent US9593110 (2017)

More data for this
Ligand-Target Pair