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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 = 'BDBM55391'   
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))
BDBM55391
PNG
(1-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1-ind...)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6])cc1)-c1ccc(-[#8]-[#6])cc1)-c1cn(-[#6]-[#6](-[#8])-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-2)c2ccccc12
Show InChI InChI=1S/C34H41N3O3/c1-5-30(34(25-10-14-28(39-3)15-11-25)26-12-16-29(40-4)17-13-26)32-24-37(33-9-7-6-8-31(32)33)23-27(38)22-36-20-18-35(2)19-21-36/h6-17,24,27,38H,5,18-23H2,1-4H3
PDB
MMDB

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PC cid
PC sid
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Similars

PCBioAssay
n/an/a 5.28E+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