BDBM50601007 CHEMBL5176354

SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1cccc4ccccc14)NC2=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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@@]1([H])C(=O)N1C[C@H](O)C[C@@]1([H])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)CCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCCCC[C@H]2NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)(C)C)NC(=O)[C@H](CSCCC(=O)N3CN4CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CSCCC4=O)C(N)=O)NC(C)=O)nn1

InChI Key InChIKey=JSHLYRKVAIQTQB-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 = 50601007   

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

Curated by ChEMBL
LigandPNGBDBM50601007(CHEMBL5176354)
Affinity DataKd:  2.37E+3nMAssay 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