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BDBM55680 4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin-2-ylidene]methyl]-N-[3-(4-methylpiperazino)propyl]benzamide::4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide::4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[3-(4-methyl-1-piperazinyl)propyl]benzamide::4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide::4-{(E)-[4-(3-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide::MLS000682565::SMR000311922::cid_16187656

SMILES: CN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1

InChI Key: InChIKey=NELFVCYPOVDLKP-XHLNEMQHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 55680   
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))		BDBM55680
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-34-16-18-35(19-17-34)15-5-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-4-7-26(32)20-24)27-8-2-3-9-28(27)39-29/h2-4,6-13,20-21H,5,14-19,22H2,1H3,(H,33,37)/b29-21+
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Similars
PCBioAssay
n/an/a 4.42E+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