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PubMed code 24900231

Compile data set for download or QSAR
Found 22 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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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PubMed
n/an/a 250n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of STAT3 in human HeLa cells after 24 hrs by luciferase reporter gene assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Src kinase


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK2


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 1.05E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 1.05E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Src kinase


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 1.31E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FGFR-1 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 2.31E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 2.38E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LYN after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 2.78E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of KIT after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 5.41E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 5.94E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Akt1 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 6.78E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TIE2 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 7.75E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a 8.39E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of B-Raf after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JNK1 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abl1 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of JAK2 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC-alpha after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (human))
BDBM11242
PNG
(5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenza...)
Show SMILES Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Erk2 after 60 mins by radiometric assay


ACS Med Chem Lett 1: 454-459 (2010)


Article DOI: 10.1021/ml100146z
BindingDB Entry DOI: 10.7270/Q2XG9RDQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%