BDBM50593320 A-301::ATI-502::Ati-502::IFIDANCITINIB::Ifidancitinib

SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F

InChI Key InChIKey=OYFMQDVLFYKOPZ-UHFFFAOYSA-N

Data  1 KI  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50593320   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataKi:  1.00E+3nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetJAK3/JAK1(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  451nMAssay Description:Inhibition of JAK1/JAK3 signaling pathway in human whole blood assessed as reduction of IL-2 induced STAT5 phosphorylationMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) in absence of NADPHMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) in presence of NADPHMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  2.10nMAssay Description:Inhibition of human recombinant GST-tagged JAK1 catalytic domain (866 to 1154 residues) expressed in baculovirus expression system by Z'-lyte assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human recombinant GST-tagged JAK2 catalytic domain (809 to 1153 residues) expressed in baculovirus expression system by Z'-lyte assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  923nMAssay Description:Inhibition of human recombinant GST-tagged JAK3 catalytic domain (781 to 1124 residues) expressed in baculovirus expression system by Z'-lyte assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  12nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged TYK2 (833 to 1187 residues) expressed in baculovirus expression system by Z'-lyte assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetJAK3/JAK1(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  20nMAssay Description:Inhibition of JAK1/JAK3 signaling pathway in human primary T-cells assessed as reduction of IL-2 induced cell proliferationMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNon-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  8nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human primary T-cells assessed as reduction of IFN-alpha induced STAT1 phosphorylationMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  915nMAssay Description:Inhibition of JAK2 signaling pathway in human UKE-1 cells assessed as reduction of cell proliferationMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNon-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  1.19E+3nMAssay Description:Inhibition of JAK2/TYK2 signaling pathway in human primary T-cells assessed as reduction of IL-12 induced STAT4 phosphorylationMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  417nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human U-937 cells assessed as reduction of IFN-gamma induced ICAM1 expressionMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetJAK3/JAK1(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  20nMAssay Description:Inhibition of JAK1/JAK3 in human primary T-cells assessed as reduction of IL-2 stimulated STAT5 phosphorylation preincubated for 1 hr followed by IL-...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Rigel Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50593320(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Affinity DataIC50:  490nMAssay Description:Inhibition of JAK2 signaling pathway in human CHEP cells assessed as inhibition of EPO-induced cell survival preincubated for 1 hr followed by EPO ad...More data for this Ligand-Target Pair
In DepthDetails PubMed