BDBM50121391 CHEMBL3622137
SMILES CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6
InChI Key InChIKey=IHSTUTBJVPZZHZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
 Found 11 hits  for monomerid = 50121391
 Found 11 hits  for monomerid = 50121391    
TargetTyrosine-protein kinase JAK2(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 2.5nMAssay Description:Inhibition of JAK2 (unknown origin) using 5-FAMKKKKEEIYFFFG-OH as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of recombinant Src (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetDeath-associated protein kinase 1(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of recombinant DAPK1 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant Tyk2 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 160nMAssay Description:Inhibition of recombinant JAK3 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataEC50: >1.60E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein kinase Fyn(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 10nMAssay Description:Inhibition of recombinant Fyn (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of recombinant LCK (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 270nMAssay Description:Inhibition of recombinant JAK1 (unknown origin) using fluoresceinated peptide as substrate after 60 mins by HTRF assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Human)
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Bristol-Myers Squibb Research & Development
Curated by ChEMBL
Affinity DataIC50: 65nMAssay Description:Inhibition of JAK2 in human SET2 cells assessed as inhibition of cell proliferation after 72 hrs by [3H]-thymidine incorporation assayMore data for this Ligand-Target Pair

 3D Structure (crystal)
3D Structure (crystal)