BDBM50448581 CHEMBL3127463

SMILES CC(C)CC(=O)Nc1cc(cc(c1)-c1ccc(cc1C(O)=O)C(N)=O)C1CC(C)(c2ccccc2)c2cc(ccc2N1)C(N)=N

InChI Key InChIKey=PDUMJXCNOKHQKH-UHFFFAOYSA-N

Data  8 KI

PDB links: 1 PDB ID matches this monomer.

  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 = 50448581   

TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50448581(CHEMBL3127463)
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50448581(CHEMBL3127463)
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysisMore data for this Ligand-Target Pair