BDBM50601010 CHEMBL5204681

SMILES [H][C@@]12CCCN1C(=O)[C@@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@@]1([H])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CSCCC3=O)C(=O)N[C@@H](CNC(=O)CCc1cn(CC(=O)N[C@H]2CSCCC(=O)N3CN4CN(C3)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3cccc5ccccc35)NC(=O)[C@]3([H])CCCN3C2=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@@]2([H])C(=O)N2C[C@H](O)C[C@@]2([H])C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CSCCC4=O)C(N)=O)nn1)C(N)=O)NC(C)=O

InChI Key InChIKey=FKSNUQRGVHJZFC-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50601010   

TargetTumor necrosis factor receptor superfamily member 9(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50601010(CHEMBL5204681)
Affinity DataEC50:  3.5nMAssay Description:Agonist activity at human CD137 expressed in Jurkat T cells co-expressing response element driven luciferase reporter gene assessed as luminescence m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed