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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 = 'BDBM55707'   
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))
BDBM55707
PNG
(MLS000682564 | N-[3-(4-ethyl-1-piperazinyl)propyl]...)
Show SMILES CCN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
Show InChI InChI=1S/C32H35FN4O2S/c1-2-35-18-20-36(21-19-35)17-7-16-34-31(38)25-14-12-24(13-15-25)22-30-32(39)37(23-26-8-3-4-9-27(26)33)28-10-5-6-11-29(28)40-30/h3-6,8-15,22H,2,7,16-21,23H2,1H3,(H,34,38)/b30-22+
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MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 5.33E+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