BDBM50048519 CHEMBL3360776

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O)C(N)=O

InChI Key InChIKey=RLZGPBDJPHVDGA-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50048519   

TargetHeat shock protein HSP 90(Rabbit)
Tufts University

Curated by ChEMBL
LigandPNGBDBM50048519(CHEMBL3360776)
Affinity DataIC50: 8.43E+3nMAssay Description:Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase renaturation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Tufts University

Curated by ChEMBL
LigandPNGBDBM50048519(CHEMBL3360776)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of HSP90 in human MDA-kb2 cells assessed as reduction in glucocorticoid receptor-dependent luciferase expression after 18 hrs by firefly l...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2016
Entry Details Article
PubMed