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BDBM48807 4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-ethylpiperazino)ethyl]benzamide::4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide::4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-ethyl-1-piperazinyl)ethyl]benzamide::4-[(E)-[4-[(3-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide::4-{(E)-[4-(3-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide::MLS000682555::SMR000311912::cid_16189332

SMILES: CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1

InChI Key: InChIKey=SDTMUAXNMBDCMA-XHLNEMQHSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 48807   
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
eukaryotic translation initiation factor 4 gamma, 1 isoform 4


(Homo sapiens (Human))
BDBM48807
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-2-34-16-18-35(19-17-34)15-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-5-7-26(32)20-24)27-8-3-4-9-28(27)39-29/h3-13,20-21H,2,14-19,22H2,1H3,(H,33,37)/b29-21+
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PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2RN3686
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM48807
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-2-34-16-18-35(19-17-34)15-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-5-7-26(32)20-24)27-8-3-4-9-28(27)39-29/h3-13,20-21H,2,14-19,22H2,1H3,(H,33,37)/b29-21+
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n/an/a 4.84E+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
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM48807
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-2-34-16-18-35(19-17-34)15-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-5-7-26(32)20-24)27-8-3-4-9-28(27)39-29/h3-13,20-21H,2,14-19,22H2,1H3,(H,33,37)/b29-21+
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n/an/an/an/a 3.78E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21Z42TP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM48807
PNG
(4-[(E)-[4-(3-chlorobenzyl)-3-keto-1,4-benzothiazin...)
Show SMILES CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1
Show InChI InChI=1S/C31H33ClN4O2S/c1-2-34-16-18-35(19-17-34)15-14-33-30(37)25-12-10-23(11-13-25)21-29-31(38)36(22-24-6-5-7-26(32)20-24)27-8-3-4-9-28(27)39-29/h3-13,20-21H,2,14-19,22H2,1H3,(H,33,37)/b29-21+
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n/an/an/an/a 6.53E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q25Q4THK
More data for this
Ligand-Target Pair