BDBM50620461 CHEMBL5399435

SMILES CCS(=O)(=O)Nc1cc(-c2c(C)nn(C)c2C)c(F)c(c1)-c1ccnc2nc[nH]c12

InChI Key InChIKey=OIGZERUJQVCATD-UHFFFAOYSA-N

Data  2 KI  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50620461   

TargetBromodomain-containing protein 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataKd:  24nMAssay Description:Binding affinity to Monolith TM RED-NHS-labelled BRD4 BD1 (K57-E168) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells assessed as diss...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP450 1A2 (unknown origin) measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP450 2C9 (unknown origin) measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP450 2C19 (unknown origin) measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP450 2D6 (unknown origin) measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP450 3A4 (unknown origin) measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of hERG (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataKi:  9nMAssay Description:Inhibition of BRD4 BD2 (E352-M457) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 5-FAM-labeled (+)-JQJ based FP competition assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed
TargetBromodomain-containing protein 4(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50620461(CHEMBL5399435)
Affinity DataKi:  15nMAssay Description:Inhibition of BRD4 BD1 (K57-E168) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells by 5-FAM-labeled (+)-JQJ based FP competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2024
Entry Details
PubMed