BDBM50601008 CHEMBL5202442

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CSCCC(=O)N3CN(CN(C3)C(=O)CCSC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)NC([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)C(=O)CCSC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O)C(=O)N[C@@H](CNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCn1cc(CCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)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

InChI Key InChIKey=ITBAUFRJUDRSAF-UHFFFAOYSA-N

Data  2 Kd

  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 2 hits for monomerid = 50601008   

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

Curated by ChEMBL
LigandPNGBDBM50601008(CHEMBL5202442)
Affinity DataKd:  108nMAssay Description:Binding affinity to human recombinant CD137 by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetNectin-4(Human)
Bicycle Therapeutics

Curated by ChEMBL
LigandPNGBDBM50601008(CHEMBL5202442)
Affinity DataKd:  2.80nMAssay Description:Binding affinity to human Nectin-4 assessed as dissociation constant using 1:1 Nectin-4/CD137 by surface plasmon resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed