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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil cytosol factor 1 [S99G]' and Ligand = 'BDBM55413'   
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
Neutrophil cytosol factor 1 [S99G]


(Homo sapiens (Human))
BDBM55413
PNG
((8E)-2-amino-6-(phenylmethyl)-4-(3-pyridinyl)-8-(3...)
Show SMILES N=C1OC2=C(CN(Cc3ccccc3)CC2=Cc2cccnc2)C(C1C#N)c1cccnc1 |w:16.18,t:3|
Show InChI InChI=1S/C27H23N5O/c28-13-23-25(21-9-5-11-31-15-21)24-18-32(16-19-6-2-1-3-7-19)17-22(26(24)33-27(23)29)12-20-8-4-10-30-14-20/h1-12,14-15,23,25,29H,16-18H2
PDB
MMDB

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Similars

PCBioAssay
n/an/a 3.50E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair