BDBM506394 US11045455, Compound 48

SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(c(Cl)n1)-c1ccnc2[nH]ccc12

InChI Key InChIKey=LVYKJFMGPICBJK-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 506394   

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

US Patent
LigandPNGBDBM506394(US11045455, Compound 48)
Affinity DataIC50:  5.66nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506394(US11045455, Compound 48)
Affinity DataIC50:  1.40nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506394(US11045455, Compound 48)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 1A2(Homo sapiens (Human))
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506394(US11045455, Compound 48)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCytochrome P450 2D6(Homo sapiens (Human))
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506394(US11045455, Compound 48)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Sichuan Kelun-Biotech Biopharmaceutical

US Patent
LigandPNGBDBM506394(US11045455, Compound 48)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent