BDBM50052244 CHEMBL1652621::US20240190872, Compound Debio-1452

SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

InChI Key InChIKey=QXTWSUQCXCWEHF-UHFFFAOYSA-N

Data  2 KI  3 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 5 hits for monomerid = 50052244   

TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251](Staphylococcus aureus)
Aurigene Discovery Technologies

Curated by ChEMBL
LigandPNGBDBM50052244(CHEMBL1652621 | US20240190872, Compound Debio-1452)
Affinity DataIC50: 29nMAssay Description:Inhibition of Staphylococcus aureus FabI-mediated reduction of enoyl-ACP preincubated for 30 mins measured after 2 hrs by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2016
Entry Details Article
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50052244(CHEMBL1652621 | US20240190872, Compound Debio-1452)
Affinity DataIC50: 14nMAssay Description:Inhibition of Staphylococcus aureus FabI assessed as inhibition of bacterial growth by measuring the NADH consumption rate at 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADPH] FabI(Staphylococcus aureus (strain MRSA252))
National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL
LigandPNGBDBM50052244(CHEMBL1652621 | US20240190872, Compound Debio-1452)
Affinity DataIC50: 9.60E+3nMAssay Description:Inhibition of Staphylococcus aureus ATCC 29213 FabI in the presence of NADH using crotonyl CoA as substrate by measuring NADH consumption rateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetEnoyl-[acyl-carrier-protein] reductase [NADH] FabI(Escherichia coli (strain K12))
University of Illinois

US Patent
LigandPNGBDBM50052244(CHEMBL1652621 | US20240190872, Compound Debio-1452)
Affinity DataKi:  13nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent

TargetEnoyl-[acyl-carrier-protein] reductase [NADH]()
University of Illinois

US Patent
LigandPNGBDBM50052244(CHEMBL1652621 | US20240190872, Compound Debio-1452)
Affinity DataKi:  799nMAssay Description:To probe the effects of varying ring systems and amine placement on FabI target engagement, the apparent inhibition constants (Kiapp) for select comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2024
Entry Details
Go to US Patent