BDBM597562 US11597733, Example 4-0

SMILES COc1nc(ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1)C(C)C

InChI Key InChIKey=JYHSRMKXBAPFST-UHFFFAOYSA-N

Data  9 IC50  3 Kd

  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 12 hits for monomerid = 597562   

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Novartis

US Patent
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataKd: >100nMAssay Description:Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05...More data for this Ligand-Target Pair
In DepthDetails US Patent


LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataKd: >100nMAssay Description:Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05...More data for this Ligand-Target Pair
In DepthDetails US Patent


TargetSerine/threonine-protein kinase pim-1(Human)
Novartis

US Patent
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataKd: >100nMAssay Description:Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05...More data for this Ligand-Target Pair
In DepthDetails US Patent


LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human PIK3CAMore data for this Ligand-Target Pair
In DepthDetails PubMed

TargetSerine/threonine-protein kinase haspin(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of human Haspin kinase domain using histone H3 biotin peptide as substrate preincubated with enzyme for 30 mins followed by substrate and ...More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCytochrome P450 2B6(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  6.00E+3nMAssay Description:Inhibition of CYP2B6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetReceptor-type tyrosine-protein kinase FLT3(Human)
Novartis

US Patent
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  3.60E+3nMAssay Description:Inhibition of human FLT3More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetSerine/threonine-protein kinase pim-1(Human)
Novartis

US Patent
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human PIM1More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCytochrome P450 2C9(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCytochrome P450 2C19(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  5.40E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetCytochrome P450 2C8(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  8.50E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM597562(US11597733, Example 4-0)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition of hERG by Qpatch-clamp methodMore data for this Ligand-Target Pair
In DepthDetails PubMed