BDBM50468274 CHEMBL4282794

SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)CCNC(=O)CCNC(=O)c1ccc(C(O)=O)c(c1)C1C2C=CC(=O)C=C2Oc2cc(O)ccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O

InChI Key InChIKey=NRUDKWCWETWQQK-UHFFFAOYSA-N

Data  2 EC50

  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 2 hits for monomerid = 50468274   

TargetHeat shock factor protein 1(Human)
University of California At San Francisco

Curated by ChEMBL
LigandPNGBDBM50468274(CHEMBL4282794)
Affinity DataEC50: >8.00E+3nMAssay Description:Binding affinity to recombinant human HSF1 monomer delta LZ1-3 mutant expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polariza...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetHeat shock factor protein 1(Human)
University of California At San Francisco

Curated by ChEMBL
LigandPNGBDBM50468274(CHEMBL4282794)
Affinity DataEC50:  4.50E+3nMAssay Description:Binding affinity to recombinant human HSF1 monomer expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed