BDBM50621047 CHEMBL5401381

SMILES CC[C@H]1N(C2CCCC2)c2nc(Nc3cc4CCN(C(=O)CN5CCN(CC5)S(C)(=O)=O)c4cc3OC)ncc2N(C)C1=O

InChI Key InChIKey=QKXLHLCDBNXSBT-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50621047   

TargetSerine/threonine-protein kinase PLK1(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of PLK1 (unknown origin) preincubated for 10 mins followed by substrate and ATP addition and measured after 60 mins by ADP-Glo kinase assa...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 89nMAssay Description:Inhibition of BRD4 (unknown origin) using BET peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 60 mins...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 5.46E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50621047(CHEMBL5401381)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes preincubated for 5 mins followed by NADPH addition and measured after 120 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed