BDBM50547480 CHEMBL4790235

SMILES O=C1N(N=C(\C1=N\Nc1nccs1)c1ccccc1)c1nc(cs1)-c1ccccc1

InChI Key InChIKey=KYVZVVOQWWCVPP-UHFFFAOYSA-N

Data  8 IC50  4 EC50

  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 12 hits for monomerid = 50547480   

TargetBcl-2-like protein 1(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity to full length His-tagged Bcl-xl (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity to full length His-tagged Mcl1 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity to full length His-tagged Bcl2 (unknown origin) preincubated for 30 min followed by 5-FAM Bid-BH3 addition and measured after 20 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of HDAC in human HeLa nuclear extract using Boc-Lys(acetyl)-AMC or Boc-Lys (triflouroacetyl)-AMC as substrate preincubated for 5 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetApoptosis regulator BAX(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataEC50:  278nMAssay Description:Binding affinity to recombinant human full length His-tagged BAX expressed in Escherichia coli BL21 (DE3) cells preincubated for 30 min followed by F...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetApoptosis regulator BAX(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 250nMAssay Description:Activation of BAX (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 1.92E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 2.69E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S-mephenytoin as substrate prewarmed for 10 mins followed by NADPH addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate prewarmed for 10 mins followed by NADPH addition and measured afte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 2.95E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate prewarmed for 10 mins followed by NADPH addition and measured after 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetApoptosis regulator BAX(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM50547480(CHEMBL4790235)
Affinity DataIC50: 247nMAssay Description:Displacement of FITC-labeled BIM SAHBA2 from human full length BAX trigger site expressed in Escherichia coli measured for 20 mins by competitive flu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed