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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 496.9
BDBM300272

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))
BDBM300272
PNG
(US9593110, 62)
Show SMILES OC(=O)[C@@H](C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cnn[nH]1)Cn1ccnc1
Show InChI InChI=1S/C24H22ClFN6O3/c25-18-5-6-21(26)20(11-18)16-3-1-15(2-4-16)9-19(29-23(33)22-12-28-31-30-22)10-17(24(34)35)13-32-8-7-27-14-32/h1-8,11-12,14,17,19H,9-10,13H2,(H,29,33)(H,34,35)(H,28,30,31)/t17-,19+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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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)


BindingDB Entry DOI: 10.7270/Q2MC9224
More data for this
Ligand-Target Pair