BDBM50571960 CHEMBL4848983

SMILES CC1(c2cccc(c2NC1=O)NC)C

InChI Key InChIKey=JKJOXJGLLJZNII-UHFFFAOYSA-N

Data  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 4 hits for monomerid = 50571960   

LigandPNGBDBM50571960(CHEMBL4848983)
Affinity DataIC50: 590nMAssay Description:Inhibition of human PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
LigandPNGBDBM50571960(CHEMBL4848983)
Affinity DataIC50: 1.28E+4nMAssay Description:Inhibition of human PDHK4 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50571960(CHEMBL4848983)
Affinity DataIC50: 370nMAssay Description:Inhibition of human PDHK1 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
LigandPNGBDBM50571960(CHEMBL4848983)
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of human PDHK3 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrate preincubated with enzyme complex for 45...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed