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BDBM27490 2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5-phenylbenzamide::Amino-substituted diarylbenzamide, 8w

SMILES: COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1

InChI Key: InChIKey=HAFBRQDBRQDCSQ-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 27490   
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))
BDBM27490
PNG
(2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...)
Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)
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Article
PubMed
n/an/a 794n/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 epsilon


(Homo sapiens (Human))
BDBM27490
PNG
(2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...)
Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)
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Article
PubMed
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))
BDBM27490
PNG
(2-amino-3-{4-[(3-methoxypropyl)sulfamoyl]phenyl}-5...)
Show SMILES COCCCNS(=O)(=O)c1ccc(cc1)-c1cc(cc(C(N)=O)c1N)-c1ccccc1
Show InChI InChI=1S/C23H25N3O4S/c1-30-13-5-12-26-31(28,29)19-10-8-17(9-11-19)20-14-18(16-6-3-2-4-7-16)15-21(22(20)24)23(25)27/h2-4,6-11,14-15,26H,5,12-13,24H2,1H3,(H2,25,27)
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UniChem

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Article
PubMed
n/an/a 251n/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