BDBM50247813 CHEMBL4092633

SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12

InChI Key InChIKey=MHCDDXAEFSSFCT-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50247813   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A light chain using P39 as substrate preincubated for 10 mins followed by substrate addition measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BQ as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin) using CEC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using AMMC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of Clostridium botulinum BoNT/A holotoxin-mediated SNAP-25 cleavage in mouse HBG3 cell-derived motor neurons treated at 30 mins post intox...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BQ as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Clostridium botulinum BoNT/A holotoxin-mediated SNAP-25 cleavage in mouse HBG3 cell-derived motor neurons preincubated for 30 mins foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50247813(CHEMBL4092633)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using DBF as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2019
Entry Details Article
PubMed