BDBM50448589 CHEMBL3127485

SMILES NC(=N)c1ccc2N[C@@H](C[C@H](c3ccccc3)c2c1)c1cc(N)cc(c1)-c1ccccc1C(O)=O

InChI Key InChIKey=XUJJWQQLMFLJKO-SQHAQQRYSA-N

Data  2 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 = 50448589   

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

Curated by ChEMBL
LigandPNGBDBM50448589(CHEMBL3127485)
Affinity DataKi:  7.60nMAssay 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
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50448589(CHEMBL3127485)
Affinity DataKi:  57nMAssay Description:Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed