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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50034860   
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


(Rattus norvegicus (Rat))
BDBM50034860
PNG
(4-[4-Carboxy-2-(4-pyrrol-1-yl-benzyl)-5-(4-pyrrol-...)
Show SMILES OC(=O)C(CC(Cc1ccc(cc1)-n1cccc1)C(=O)NC1CCC(CC1)C(O)=O)Cc1ccc(cc1)-n1cccc1 |(11.9,-3.3,;10.57,-2.53,;10.57,-.99,;9.22,-3.3,;7.89,-2.53,;6.56,-3.3,;6.56,-4.84,;5.79,-6.17,;6.54,-7.5,;5.76,-8.83,;4.21,-8.83,;3.45,-7.47,;4.23,-6.14,;3.43,-10.15,;4.04,-11.56,;2.89,-12.58,;1.57,-11.79,;1.9,-10.3,;5.23,-2.53,;5.23,-.99,;3.9,-3.3,;2.57,-2.53,;1.24,-3.3,;-.11,-2.53,;-.11,-.98,;1.24,-.22,;2.57,-.99,;-1.44,-.21,;-1.44,1.33,;-2.78,-.98,;9.22,-4.84,;10.31,-5.93,;9.92,-7.4,;11,-8.48,;12.47,-8.08,;12.86,-6.59,;11.78,-5.51,;13.56,-9.17,;13.33,-10.69,;14.71,-11.39,;15.8,-10.3,;15.1,-8.92,)|
Show InChI InChI=1S/C34H37N3O5/c38-32(35-29-11-9-26(10-12-29)33(39)40)27(21-24-5-13-30(14-6-24)36-17-1-2-18-36)23-28(34(41)42)22-25-7-15-31(16-8-25)37-19-3-4-20-37/h1-8,13-20,26-29H,9-12,21-23H2,(H,35,38)(H,39,40)(H,41,42)
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n/an/a 515n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
In vitro inhibition of rat neutral endopeptidase by using GAAP as substrate


J Med Chem 38: 1689-700 (1995)


BindingDB Entry DOI: 10.7270/Q2Z89BD0
More data for this
Ligand-Target Pair