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BDBM55645 MLS000389507::SMR000255780::cid_3336580

SMILES: CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4C(C)COc5c(N6CCN(C)CC6)c(F)cc(c45)c3=O)cc2)cc1

InChI Key: InChIKey=ABHZIIYNYAVFSO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 55645   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
neutrophil cytosolic factor 1


(Homo sapiens (Human))		BDBM55645
PNG
(MLS000389507 | SMR000255780 | cid_3336580)
Show SMILES CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4C(C)COc5c(N6CCN(C)CC6)c(F)cc(c45)c3=O)cc2)cc1
Show InChI InChI=1S/C33H34FN5O5/c1-4-43-24-11-9-23(10-12-24)35-32(41)21-5-7-22(8-6-21)36-33(42)26-18-39-20(2)19-44-31-28(39)25(30(26)40)17-27(34)29(31)38-15-13-37(3)14-16-38/h5-12,17-18,20H,4,13-16,19H2,1-3H3,(H,35,41)(H,36,42)
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Similars
PCBioAssay
n/an/a 3.25E+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