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PubMed code 19136257

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transcription factor p65


(Homo sapiens (Human))
BDBM50277067
PNG
(1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-...)
Show SMILES COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:16|
Show InChI InChI=1S/C18H13ClN4O3S/c1-9-8-13(24)23(18(9)25)22-17-14-11(26-2)6-5-10(19)15(14)20-16(21-17)12-4-3-7-27-12/h3-8H,1-2H3,(H,20,21,22)
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Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Potentiation of TNFalpha-induced NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50135483
PNG
(1-(6-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1ccc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1)-c1cccs1 |t:14|
Show InChI InChI=1S/C18H14N4O3S/c1-10-8-15(23)22(18(10)24)21-16-12-9-11(25-2)5-6-13(12)19-17(20-16)14-4-3-7-26-14/h3-9H,1-2H3,(H,19,20,21)
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PubMed
n/an/an/an/a 4.20E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Potentiation of TNFalpha-induced NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50135483
PNG
(1-(6-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1ccc2nc(nc(NN3C(=O)C=C(C)C3=O)c2c1)-c1cccs1 |t:14|
Show InChI InChI=1S/C18H14N4O3S/c1-10-8-15(23)22(18(10)24)21-16-12-9-11(25-2)5-6-13(12)19-17(20-16)14-4-3-7-26-14/h3-9H,1-2H3,(H,19,20,21)
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PubMed
n/an/an/an/a 9.80E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50135482
PNG
(1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|
Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
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Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50277067
PNG
(1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-...)
Show SMILES COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:16|
Show InChI InChI=1S/C18H13ClN4O3S/c1-9-8-13(24)23(18(9)25)22-17-14-11(26-2)6-5-10(19)15(14)20-16(21-17)12-4-3-7-27-12/h3-8H,1-2H3,(H,20,21,22)
PDB

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Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Induction of NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50135482
PNG
(1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1 |t:15|
Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
PDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Potentiation of TNFalpha-induced NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%