BDBM50607223 CHEMBL5219064

SMILES CC[C@H](C)[C@@H]([C@H](CC(=O)N1CCCC1[C@@H](OC)[C@H](C)C(=O)N[C@@H](C)[C@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCC(=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](C)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]2CSCCC(=O)N3CN4CN(C3)C(=O)CCSC[C@H](NC(=O)C(CCCCNC(N)=N)NC(=O)[C@H](Cc3c[nH]c5ccccc35)NC(=O)[C@H](Cc3c[nH]c5ccccc35)NC(=O)[C@H](CC(O)=O)NC(=O)C3CCCN3C(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSC(=O)CC4)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)C3C[C@@H](O)CN3C2=O)C(C)C)C(N)=O)C(C)C)cc1)C(C)C

InChI Key InChIKey=NRAQCXVXIKYWBU-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 = 50607223   

TargetNectin-4(Human)
Bicycletx

Curated by ChEMBL
LigandPNGBDBM50607223(CHEMBL5219064)
Affinity DataKd:  2.5nMAssay Description:Binding affinity to C-terminal FLAG-tagged human Nectin-4 (32 to 349 residues) expressed in baculovirus infected sf9 cells assessed as dissociation c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed