BDBM50072278 CHEMBL3408357

SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCn3cc(COCCOCCOCCN4C(=O)CC(SC[C@@H](N)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc5c[nH]cn5)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N[C@@H](Cc5ccccc5)C(O)=O)C4=O)nn3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO

InChI Key InChIKey=FBUKVNQVPHJSFT-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50072278   

TargetEnv polyprotein(Human immunodeficiency virus type 1)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50072278(CHEMBL3408357)
Affinity DataKd:  250nMAssay Description:Binding affinity to HIV1 gp41 (46 residues) by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed