BDBM50250220 CHEMBL4098767::US12630497, Compound 3-29

SMILES COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1

InChI Key InChIKey=POBQPFVELWZREF-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50250220   

TargetMalate dehydrogenase, cytoplasmic(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250220BDBM50250220(CHEMBL4098767 | US12630497, Compound 3-29)
Affinity DataIC50: 1.31E+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, mitochondrial(Human)
Dongguk University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50250220BDBM50250220(CHEMBL4098767 | US12630497, Compound 3-29)
Affinity DataIC50: 1.36E+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 50250220BDBM50250220(CHEMBL4098767 | US12630497, Compound 3-29)
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 50250220BDBM50250220(CHEMBL4098767 | US12630497, Compound 3-29)
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