BDBM538629 NCGC 00371853::US11254667, Compound I-33::US11542261, Compound I-33

SMILES COc1cc2ncc(-c3nc(NC4CCNC4)c(F)cc3F)n2cc1-c1cn[nH]c1

InChI Key InChIKey=MRTMFQCDTSMOBI-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 = 538629   

TargetGTPase NRas(Human)
Children''S Hospital Medical Center

US Patent
LigandPNGBDBM538629(NCGC 00371853 | US11254667, Compound I-33 | US1154...)
Affinity DataIC50: 2.98E+4nMAssay Description:AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin Elmer). Assay was performed according to manufacturer protocol.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2022
Entry Details
Go to US Patent

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Children''S Hospital Medical Center

US Patent
LigandPNGBDBM538629(NCGC 00371853 | US11254667, Compound I-33 | US1154...)
Affinity DataIC50: 53nMAssay Description:AlphaScreen SureFire STAT5 (pTyr694;Tyr699) Assay kit (Perkin Elmer). Assay was performed according to manufacturer protocol.More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2022
Entry Details
Go to US Patent

TargetDimer of Receptor-type tyrosine-protein kinase FLT3(Human)
Children'S Hospital Medical Center

US Patent
LigandPNGBDBM538629(NCGC 00371853 | US11254667, Compound I-33 | US1154...)
Affinity DataIC50: 53nMAssay Description:Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2023
Entry Details
Go to US Patent

TargetGTPase NRas(Human)
Children''S Hospital Medical Center

US Patent
LigandPNGBDBM538629(NCGC 00371853 | US11254667, Compound I-33 | US1154...)
Affinity DataIC50: 2.98E+4nMAssay Description:Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2023
Entry Details
Go to US Patent

TargetDimer of Receptor-type tyrosine-protein kinase FLT3(Human)
Children'S Hospital Medical Center

US Patent
LigandPNGBDBM538629(NCGC 00371853 | US11254667, Compound I-33 | US1154...)
Affinity DataIC50: 53nMAssay Description:Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control....More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2023
Entry Details
Go to US Patent