null

SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12

InChI Key InChIKey=JZNXLPPJRFFECJ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50373071   

TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  3.81nMAssay Description:Binding affinity to TNF-alpha (unknown origin)More data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of TNFR1 binding to human TNFalpha expressed in Escherichia coli BL21 (DE3) incubated for 60 mins by ELISAMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 2.03E+4nMAssay Description:Inhibition of TNFalpha in HEK293T cells transfected with plasmid hRluc/TK/ luc2P/NF-kBRE/Hygro plasmid after 12 hrs by Dual-glo luciferase assay syst...More data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  1.30E+4nMAssay Description:Binding affinity to TNFMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  1.18E+4nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % MeOH as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  9.77E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % MeOH as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  8.30E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % MeOH as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  6.18E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % PEG3350 as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  5.36E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % DMSO as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  8.44E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % PEG3350 as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  5.75E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % PEG3350 as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  7.51E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMF as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  7.34E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % DMSO as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  5.70E+3nMAssay Description:Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMSO as solventMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  5.36E+3nMpH: 6.5Assay Description:Binding affinity to GST-tagged human TNF-alpha in 10 mM citrate-phosphate at pH 6.5 by fluorescence assayMore data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 1.20E+3nMAssay Description:Binding affinity to human TNF-alpha soluble domain assessed as decrease in complex formation with human TNFR2 extracellular domain preincubated for 1...More data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Binding affinity to human TNF-alpha soluble domain assessed as decrease in complex formation with human TNFR1 extracellular domain preincubated for 1...More data for this Ligand-Target Pair
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of TNF-alpha (unknown origin) binding to TNFR1 by ELISAMore data for this Ligand-Target Pair
TargetTumor necrosis factor ligand superfamily member 11(Homo sapiens)
Shanghai Jiaotong University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  1.38E+4nMAssay Description:Binding affinity to human RANKL measured after 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6TZ8PubMed
TargetTumor necrosis factor(Homo sapiens (Human))
The Second People's Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  9.17E+4nMAssay Description:Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by MST assayMore data for this Ligand-Target Pair
TargetTumor necrosis factor ligand superfamily member 11(Homo sapiens)
Shanghai Jiaotong University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5DDQPubMed
TargetTumor necrosis factor ligand superfamily member 11(Homo sapiens)
Shanghai Jiaotong University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataKd:  1.38E+4nMAssay Description:Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PZ5DDQPubMed
TargetTumor necrosis factor receptor superfamily member 1A(Homo sapiens (Human))
Instituto de Salud Hospital Universitario La Paz - IdiPAZ

Curated by ChEMBL
LigandPNGBDBM50373071(CHEMBL255489)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of TNFR1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RR20ZBPubMed