BDBM506397 US11045455, Compound 52::US11045455, Compound 52-HCl

SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1c(F)cnc2[nH]ccc12

InChI Key InChIKey=IAQDLLVWNWQFLK-UHFFFAOYSA-N

Data  9 IC50

  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 9 hits for monomerid = 506397   

TargetTyrosine-protein kinase JAK1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 0.540nMAssay Description:1. Test Materials JAK1, JAK2, JAK3 and TYK2 enzymes were purchased from Life Technologies; and substrate GFP-STAT1 was purchased from Life Tec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK2(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 0.400nMAssay Description:1. Test Materials JAK1, JAK2, JAK3 and TYK2 enzymes were purchased from Life Technologies; and substrate GFP-STAT1 was purchased from Life Tec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK1(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 0.380nMAssay Description:1. Test Materials JAK1, JAK2, JAK3 and TYK2 enzymes were purchased from Life Technologies; and substrate GFP-STAT1 was purchased from Life Tec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetTyrosine-protein kinase JAK2(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 0.350nMAssay Description:1. Test Materials JAK1, JAK2, JAK3 and TYK2 enzymes were purchased from Life Technologies; and substrate GFP-STAT1 was purchased from Life Tec...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 3.00E+4nMAssay Description:The effect of test compounds on hERG potassium channel were determined using Predictor hERG Fluorescence Polarization Assay at concentrations of 3, 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 3.00E+4nMAssay Description:The effect of test compounds on hERG potassium channel were determined using Predictor hERG Fluorescence Polarization Assay at concentrations of 3, 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetCytochrome P450 1A2(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 1.00E+4nMAssay Description:According to the experimental data in Table 2-2, in this test, the 50% inhibitory concentrations (IC50) of the test compounds on CYP1A2, CYP3A4 and C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetCytochrome P450 2D6(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 1.00E+4nMAssay Description:According to the experimental data in Table 2-2, in this test, the 50% inhibitory concentrations (IC50) of the test compounds on CYP1A2, CYP3A4 and C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506397(US11045455, Compound 52-HCl | US11045455, Compound...)
Affinity DataIC50: 1.00E+4nMAssay Description:According to the experimental data in Table 2-2, in this test, the 50% inhibitory concentrations (IC50) of the test compounds on CYP1A2, CYP3A4 and C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2021
Entry Details
Go to US Patent