BDBM50538668 CHEMBL4634455::US11518761, Example 159

SMILES Nc1ncnc2n(nc(Oc3cc(ccn3)C(F)(F)F)c12)C1CC1

InChI Key InChIKey=KWGARBYHIQLXRK-UHFFFAOYSA-N

Data  4 IC50  5 EC50

  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 9 hits for monomerid = 50538668   

TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataIC50: 13nMAssay Description:Certain of the compounds prepared as described above were assayed to determine their IC50 for inhibition of T. gondii CDPK1 (tgCDPK1). At least three...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2023
Entry Details
US Patent

TargetCalmodulin-domain protein kinase 1(Toxoplasma gondii)
Vyera Pharmaceuticals

US Patent
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataIC50: 16.5nMAssay Description:Certain of the compounds prepared as described above were assayed to determine their IC50 for inhibition of T. gondii CDPK1 (tgCDPK1). At least three...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/5/2023
Entry Details
US Patent

TargetCytochrome P450 1A2(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataEC50:  460nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataEC50:  5.78E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetProto-oncogene tyrosine-protein kinase Src(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human Src expressed in Escherichia coli BL21 using Abltide peptide as substrate incubated for 20 to 40 mins by ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG expressed in CHOK1 cells by patch-clamp electrophysiology assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataEC50:  5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataEC50:  5.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Washington University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50538668(CHEMBL4634455 | US11518761, Example 159)
Affinity DataEC50:  5.00E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed