BDBM50250238 CHEMBL4085170::US12630497, Compound 3-8

SMILES CCCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

InChI Key InChIKey=HDBDOZJTIIABKV-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50250238   

TargetMalate dehydrogenase, cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250238BDBM50250238(CHEMBL4085170 | US12630497, Compound 3-8)
Affinity DataIC50: 6.79E+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
TargetMalate dehydrogenase, cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250238BDBM50250238(CHEMBL4085170 | US12630497, Compound 3-8)
Affinity DataIC50: 7.50E+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 Industry-Academic Cooperation Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 50250238BDBM50250238(CHEMBL4085170 | US12630497, Compound 3-8)
Affinity DataIC50: 1.00E+4nMAssay 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

TargetHypoxia-inducible factor 1-alpha(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250238BDBM50250238(CHEMBL4085170 | US12630497, Compound 3-8)
Affinity DataIC50: 4.00E+4nMAssay 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, mitochondrial(Human)
Dongguk University Industry-Academic Cooperation Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 50250238BDBM50250238(CHEMBL4085170 | US12630497, Compound 3-8)
Affinity DataIC50: 4.00E+4nMAssay 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