BDBM50250244 CHEMBL4091027::US12630497, Compound 3-33

SMILES COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

InChI Key InChIKey=RJDGJBQHQLDKNJ-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50250244   

TargetMalate dehydrogenase, mitochondrial(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250244BDBM50250244(CHEMBL4091027 | US12630497, Compound 3-33)
Affinity DataIC50: 1.11E+3nMAssay Description:Inhibition of human MDH2 after 30 mins by oxaloacetate-dependent NADH oxidation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2019
Entry Details Article
PubMed
TargetMalate dehydrogenase, cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250244BDBM50250244(CHEMBL4091027 | US12630497, Compound 3-33)
Affinity DataIC50: 1.18E+3nMAssay Description:Inhibition of human MDH1 expressed in Escherichia coli after 30 mins by oxaloacetate-dependent NADH oxidation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2019
Entry Details Article
PubMed
TargetHypoxia-inducible factor 1-alpha(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250244BDBM50250244(CHEMBL4091027 | US12630497, Compound 3-33)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of HIF-1alpha in human HCT116 cells incubated for 12 hrs under hypoxic conditions by HRE dual-luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2019
Entry Details Article
PubMed
TargetMalate dehydrogenase, cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250244BDBM50250244(CHEMBL4091027 | US12630497, Compound 3-33)
Affinity DataIC50: 3.00E+3nMAssay Description:Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent

TargetMalate dehydrogenase, mitochondrial(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250244BDBM50250244(CHEMBL4091027 | US12630497, Compound 3-33)
Affinity DataIC50: 3.00E+3nMAssay Description:Human V1b receptor was transiently expressed in 293FT cells (Invitrogen). The cells were collected and then homogenated in a 15 mmol/L tris-hydrochlo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2019
Entry Details
US Patent