BDBM50070027 CHEMBL3407789

SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(O)=O

InChI Key InChIKey=IXZQRHYGJJQAMO-UHFFFAOYSA-N

Data  2 KI  5 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 7 hits for monomerid = 50070027   

TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
Affinity DataIC50: 6.80E+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 Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
Affinity DataIC50: 6.30E+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 Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
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 Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
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 Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
Affinity DataIC50: 6.50E+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 Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
Affinity DataKi:  6.00E+4nMAssay Description:Mixed-type inhibition of His-tagged human thymidylate synthase K47A mutant after 1 hr by dixon-plot methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed
TargetThymidylate synthase(Human)
University of California San Francisco

Curated by ChEMBL
LigandPNGBDBM50070027(CHEMBL3407789)
Affinity DataKi:  7.80E+4nMAssay Description:Inhibition of wild-type His-tagged human thymidylate synthase after 1 hr by dixon-plot methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2016
Entry Details Article
PubMed