BDBM66431 2-(3-chloro-N-(2-chloro-1-oxoethyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide::2-(3-chloro-N-(2-chloroacetyl)-4-methoxy-anilino)-N-phenethyl-2-(2-thienyl)acetamide::2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide::2-[(chloroacetyl)(3-chloro-4-methoxyphenyl)amino]-N-(2-phenylethyl)-2-thien-2-ylacetamide::2-[2-chloranylethanoyl-(3-chloranyl-4-methoxy-phenyl)amino]-N-(2-phenylethyl)-2-thiophen-2-yl-ethanamide::MLS000583955::SMR000206941::cid_3689413

SMILES COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CCl

InChI Key InChIKey=UNVKYJSNMVDZJE-UHFFFAOYSA-N

Data  1 KI  5 IC50  3 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 9 hits for monomerid = 66431   

TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataEC50:  7.06E+4nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataIC50: 25nMAssay Description:Inhibition of Vps34 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPhosphatidylinositol 3-kinase catalytic subunit type 3(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataIC50: 18nMAssay Description:Inhibition of Vps34 (unknown origin) interaction with PIK3 assessed as reduction in autophagy by increasing LC3 levelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataEC50:  28nMAssay Description:Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viabilityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataEC50:  2.20E+3nMAssay Description:Inhibition of GPX4 in human LOX IMVI cells assessed as ferroptosis-mediated cell death measured as cell viability in presence of ferrostatin-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Indiana University School of Medicine 635 Barnhill Drive

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells/FAM-labelled YAP1 (60 to 99 resi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataIC50: 4.85E+3nMAssay Description:Inhibition of GPX4 (unknown origin) incubated for 1 hrs in presence of glutathione and glutathione reductase by microplate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataIC50: 2.70E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetPhospholipid hydroperoxide glutathione peroxidase(Human)
Institute of Mit and Harvard

Curated by ChEMBL
LigandPNGBDBM66431(2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N...)
Affinity DataKi:  2.89E+4nMAssay Description:Covalent inhibition of GPX4 (unknown origin) assessed as inhibition constant incubated for 30 to 90 mins in presence of glutathione, glutathione redu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2024
Entry Details
PubMed