BDBM585257 US11530197, Compound 132

SMILES CC(C)n1cnc(c1-c1nc(c[nH]1)C(=O)Nc1ccc(CCCCC(O)=O)cc1)-c1ccc(F)cc1

InChI Key InChIKey=WNEVOMUAXQPYDE-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 585257   

TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585257BDBM585257(US11530197, Compound 132)
Affinity DataIC50: 51nMAssay Description:Inhibition of human recombinant TNIK (1 to 367 residues) using RLGRDKYKTLRQI as substrate incubated for 40 mins in presence of Mg/ATP mix by scintill...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetMitogen-activated protein kinase kinase kinase kinase 4(Human)
Insilico Medicine IP

US Patent
LigandChemical structure of BindingDB Monomer ID 585257BDBM585257(US11530197, Compound 132)
Affinity DataIC50: 66nMAssay Description:The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585257BDBM585257(US11530197, Compound 132)
Affinity DataIC50: 66nMAssay Description:The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetTRAF2 and NCK-interacting protein kinase(Human)
Insilico Medicine AI Ltd.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 585257BDBM585257(US11530197, Compound 132)
Affinity DataIC50: 66nMAssay Description:TNIK(h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activity a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent

TargetMitogen-activated protein kinase kinase kinase kinase 4(Human)
Insilico Medicine IP

US Patent
LigandChemical structure of BindingDB Monomer ID 585257BDBM585257(US11530197, Compound 132)
Affinity DataIC50: 66nMAssay Description:MAP4K4 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM RLGRDKYKTLRQIRQ, 10 mM Magnesium Acetate and [gamma-33P-ATP](specific activit...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2023
Entry Details
US Patent