BDBM604314 9-(4-(4-Acetylpiperazin- 1-yl)phenyl)-2-(tert- butyl)-4-methyl-8-(4-((4- (methylsulfonyl)piperidin- 1-yl)methyl)phenyl)- 1,2,4,7-tetrahydro-3H- pyrrolo[3',2':5,6]pyrido[3, 4-d]pyrimidin-3-one, trifluoroacetic acid salt::US11661422, Example 18

SMILES CC(=O)N1CCN(c2ccc(-c3c(-c4ccc(CN5CCC(S(C)(=O)=O)CC5)cc4)[nH]c4ncc5c(c34)CN(C(C)(C)C)C(=O)N5C)cc2)CC1

InChI Key InChIKey=FIBPJTGKYDUBSN-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 604314   

LigandChemical structure of BindingDB Monomer ID 604314BDBM604314(US11661422, Example 18 | 9-(4-(4-Acetylpiperazin- ...)
Affinity DataIC50: 100nMAssay Description:JAK2 JH2-WT binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human Wild Type JA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2023
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2 [826-1132](Human)
Incyte

US Patent
LigandChemical structure of BindingDB Monomer ID 604314BDBM604314(US11661422, Example 18 | 9-(4-(4-Acetylpiperazin- ...)
Affinity DataIC50: 100nMAssay Description:JAK2 JH1 binding assay utilizes catalytic domain (JH1, amino acids 826-1132) of human JAK2 expressed as N-terminal FLAG-tagged, biotinylated protein ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2023
Entry Details
US Patent

TargetTyrosine-protein kinase JAK2 [808-1132](Human)
Incyte

US Patent
LigandChemical structure of BindingDB Monomer ID 604314BDBM604314(US11661422, Example 18 | 9-(4-(4-Acetylpiperazin- ...)
Affinity DataIC50: 100nMAssay Description:JAK2 enzyme activity assays utilize catalytic domain (JH1, amino acids 808-1132) of human JAK2 expressed as N-terminal His-tagged protein in a baculo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2023
Entry Details
US Patent

LigandChemical structure of BindingDB Monomer ID 604314BDBM604314(US11661422, Example 18 | 9-(4-(4-Acetylpiperazin- ...)
Affinity DataIC50: 100nMAssay Description:JAK2 JH2-V617F binding assay utilizes pseudo-kinase domain (JH2, amino-acids 536-812 with 3 surface mutations W659A, W777A, F794H) of human V617F mut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/3/2023
Entry Details
US Patent