BDBM50090176 CHEMBL3581562

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@]1([H])CSSC[C@H](N)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@]3([H])CSSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CSSC[C@]([H])(NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CC(O)=O)NC3=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key InChIKey=NUZKNNSXCUXINE-AWEZNQCLSA-N

Data  1 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 1 hit for monomerid = 50090176   

TargetAlpha-amylase(Tenebrio molitor)
Nanyang Technological University

Curated by ChEMBL
LigandPNGBDBM50090176(CHEMBL3581562)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of Tenebrio molitor alpha-amylase pre-incubated for 20 mins at 37 degC by bernfeld methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed