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BDBM27475 2-amino-3-phenyl-5-(pyridin-4-yl)benzamide::Amino-substituted diarylbenzamide, 8p

SMILES: NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1

InChI Key: InChIKey=KDDJEKWJEFRYAO-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 27475   
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
I-kappa-B Kinase 1 (IKK-alpha)


(Homo sapiens (Human))
BDBM27475
PNG
(2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...)
Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)
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PC cid
PC sid
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Article
PubMed
n/an/a 3.16E+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 NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM27475
PNG
(2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...)
Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
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))
BDBM27475
PNG
(2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...)
Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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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
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM27475
PNG
(2-amino-3-phenyl-5-(pyridin-4-yl)benzamide | Amino...)
Show SMILES NC(=O)c1cc(cc(-c2ccccc2)c1N)-c1ccncc1
Show InChI InChI=1S/C18H15N3O/c19-17-15(13-4-2-1-3-5-13)10-14(11-16(17)18(20)22)12-6-8-21-9-7-12/h1-11H,19H2,(H2,20,22)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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