BDBM50514902 CHEMBL4476380::US12110278, Compound 10

SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)Nc1ccc(OCC(O)=O)cc1

InChI Key InChIKey=QQXWNIAQCDPFCH-UHFFFAOYSA-N

Data  2 IC50  10 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50514902   

TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  4.23E+4nMAssay Description:Binding affinity to wild type human N-terminal TEV cleavage site-fused/His6-tagged JAK2 JH1 domain (840 to 1132 residues) expressed in baculovirus in...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  310nMAssay Description:Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of full length human C-terminal FLAG-tagged JAK2 V617F mutant (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubate...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataIC50: 4.65E+4nMAssay Description:Inhibition of wild type full length human JAK2 (1 to 1132 residues) autophosphorylation expressed in HEK293T cells incubated in buffer with compound ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  540nMAssay Description:Binding affinity to human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain V617F mutant (536 to 812 residues) expre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2(Human)
Yale University

Curated by ChEMBL
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  571nMAssay Description:Binding affinity to wild type human C-terminal thrombin cleavage site-fused/ 6xHis-tagged JAK2 JH2 pseudokinase domain (536 to 812 residues) expresse...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2 [536-812,W659A,W777A,F794H](Human)
Yale University

US Patent
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  571nMAssay Description:In a flat black bottom 96 well plate (Corning), the buffer (20 mM Tris-HCl pH 8.0, 150 mM NaCl, 20% Glycerol, 0.5 mM TCEP, 0.01% Tween 20) is added&#...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2 [808-1132](Human)
Yale University

US Patent
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  4.23E+4nMAssay Description:In a flat black bottom 96 well plate (Corning), the buffer (20 mM Tris-HCl pH 8.0, 150 mM NaCl, 20% Glycerol, 0.5 mM TCEP, 0.01% Tween 20) is added&#...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetTyrosine-protein kinase JAK2 [536-812,W659A,W777A,F794H](Human)
Yale University

US Patent
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  570nMAssay Description:In a flat black bottom 96 well plate (Corning), the buffer (20 mM Tris-HCl pH 8.0, 150 mM NaCl, 20% Glycerol, 0.5 mM TCEP, 0.01% Tween 20) is added&#...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK2 [536-812,W659A,W777A,F794H](Human)
Yale University

US Patent
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  310nMAssay Description:MST measurements were performed with a Monolith NT.115Pico device (NanoTemper Technologies). JH2 domain protein (triple mutant W659A, W777A, F794H, o...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  540nMAssay Description:In a flat black bottom 96 well plate (Corning), the buffer (20 mM Tris-HCl pH 8.0, 150 mM NaCl, 20% Glycerol, 0.5 mM TCEP, 0.01% Tween 20) is added&#...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50514902(CHEMBL4476380 | US12110278, Compound 10)
Affinity DataKd:  400nMAssay Description:MST measurements were performed with a Monolith NT.115Pico device (NanoTemper Technologies). JH2 domain protein (triple mutant W659A, W777A, F794H, o...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)