BDBM50230449 (4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoyl}-4-{[(2S,4R)-1-({1-[(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-4-carboxy-2-{[(2S)-1-{5-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-yl}carbamothioyl)amino]pentanoyl}pyrrolidin-2-yl]formamido}butanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]propanoyl]piperidin-2-yl}carbonyl)-4-{[(Z)-[(5-nitrofuran-2-yl)methylidene]amino]oxy}pyrrolidin-2-yl]formamido}butanoic acid::CHEMBL403197

SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCCCC1C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)O\N=C/c1ccc(o1)[N+]([O-])=O

InChI Key InChIKey=ILFPZTNBPWBYLV-IUXRZIDOSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230449   

TargetTumor susceptibility gene 101 protein(Homo sapiens (Human))
Nih

Curated by ChEMBL
LigandPNGBDBM50230449((4S)-4-{[(1S)-1-carbamoyl-3-carboxypropyl]carbamoy...)
Affinity DataIC50:  1.20E+4nMAssay Description:Binding affinity to Tsg101More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed