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BDBM27473 2-amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benzamide::Amino-substituted diarylbenzamide, 8n

SMILES: NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1

InChI Key: InChIKey=SNZXBPCCTHLEJR-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 27473   
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
Inhibitor of nuclear factor kappa-B kinase subunit alpha


(Homo sapiens (Human))
BDBM27473
PNG
(2-amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benz...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c21-19-17(15-8-6-13(7-9-15)12-27(23,25)26)10-16(11-18(19)20(22)24)14-4-2-1-3-5-14/h1-11H,12,21H2,(H2,22,24)(H2,23,25,26)
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n/an/a 7.94E+3n/an/an/an/a7.422



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM27473
PNG
(2-amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benz...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c21-19-17(15-8-6-13(7-9-15)12-27(23,25)26)10-16(11-18(19)20(22)24)14-4-2-1-3-5-14/h1-11H,12,21H2,(H2,22,24)(H2,23,25,26)
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n/an/a 3.98E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human IKKbeta using GST-IkappaBalpha as substrate


Eur J Med Chem 63: 269-78 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.045
BindingDB Entry DOI: 10.7270/Q2XG9SHG
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon


(Homo sapiens (Human))
BDBM27473
PNG
(2-amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benz...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c21-19-17(15-8-6-13(7-9-15)12-27(23,25)26)10-16(11-18(19)20(22)24)14-4-2-1-3-5-14/h1-11H,12,21H2,(H2,22,24)(H2,23,25,26)
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n/an/a>1.58E+4n/an/an/an/an/an/a



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta


(Homo sapiens (Human))
BDBM27473
PNG
(2-amino-5-phenyl-3-[4-(sulfamoylmethyl)phenyl]benz...)
Show SMILES NC(=O)c1cc(cc(c1N)-c1ccc(CS(N)(=O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C20H19N3O3S/c21-19-17(15-8-6-13(7-9-15)12-27(23,25)26)10-16(11-18(19)20(22)24)14-4-2-1-3-5-14/h1-11H,12,21H2,(H2,22,24)(H2,23,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



GSK



Assay Description
IKK kinase activity was assessed using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The reaction was initiated by the addi...


Bioorg Med Chem Lett 17: 3972-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.088
BindingDB Entry DOI: 10.7270/Q2QZ289W
More data for this
Ligand-Target Pair