BDBM50601006 CHEMBL5208002

SMILES [H][C@@]12CCCN1C(=O)[C@@H](CCCCNC(=O)CCc1cn(CCOCCOCCOCCOCCOCCC(=O)N[C@H]3CSCCC(=O)N4CN5CN(C4)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc4cccc6ccccc46)NC(=O)[C@]4([H])CCCN4C3=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](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N3CCC[C@@]3([H])C(=O)N3C[C@H](O)C[C@@]3([H])C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](CSCCC5=O)C(N)=O)nn1)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(N)=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(N)=O)NC(C)=O

InChI Key InChIKey=YWKQHGYSQDCAMA-UHFFFAOYSA-N

Data  1 Kd

  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 = 50601006   

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

Curated by ChEMBL
LigandPNGBDBM50601006(CHEMBL5208002)
Affinity DataKd:  8.78E+5nMAssay Description:Binding affinity to human CD137 assessed as dissociation constant by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed