BDBM50425798 CHEMBL2316886

SMILES COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O

InChI Key InChIKey=HTDBANWISVPXTR-UHFFFAOYSA-N

Data  3 IC50  1 Kd

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 = 50425798   

TargetL-lactate dehydrogenase A chain(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50425798(CHEMBL2316886)
Affinity DataIC50: 440nMAssay Description:Inhibition of LDH-A (unknown origin) by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetL-lactate dehydrogenase A chain(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50425798(CHEMBL2316886)
Affinity DataIC50: 325nMAssay Description:Inhibition of LDH-A (unknown origin) in presence of 0.1% TritonMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetL-lactate dehydrogenase A chain(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50425798(CHEMBL2316886)
Affinity DataKd:  68nMAssay Description:Binding affinity to human LDH-A by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetL-lactate dehydrogenase A chain(Human)
Ariad Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50425798(CHEMBL2316886)
Affinity DataIC50: 220nMAssay Description:Inhibition of LDH-A (unknown origin) in absence of 0.1% TritonMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)