BDBM50070036 CHEMBL3407794

SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Key InChIKey=UCKBWJSVVZFQKK-BNHIRCGNSA-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 = 50070036   

TargetThymidylate synthase(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070036(CHEMBL3407794)
Affinity DataIC50:  8.80E+4nMAssay Description:Inhibition of wild-type His-tagged human thymidylate synthase after 1 hr by UV-visible spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070036(CHEMBL3407794)
Affinity DataIC50:  5.30E+4nMAssay Description:Inhibition of His-tagged human thymidylate synthase K47A mutant after 1 hr by UV-visible spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070036(CHEMBL3407794)
Affinity DataIC50:  5.00E+4nMAssay Description:Inhibition of His-tagged human thymidylate synthase Y202A mutant after 1 hr by UV-visible spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070036(CHEMBL3407794)
Affinity DataIC50:  3.00E+5nMAssay Description:Inhibition of His-tagged human thymidylate synthase L198A mutant after 1 hr by UV-visible spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidylate synthase(Homo sapiens (Human))
University Of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070036(CHEMBL3407794)
Affinity DataIC50:  3.00E+5nMAssay Description:Inhibition of His-tagged human thymidylate synthase F59A mutant after 1 hr by UV-visible spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed