BDBM50378698 CHEMBL1078314

SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@H]5C[C@@H](O[C@@H]5COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@H]6C[C@@H](O[C@@H]6COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@H]8C[C@@H](O[C@@H]8COP(O)(=O)O[C@H]8C[C@@H](O[C@@H]8COP(O)(=O)O[C@@H]8[C@@H](COP(O)(=O)O[C@@H]9[C@@H](CO)O[C@H]([C@@H]9O)n9cnc%10c9nc(N)[nH]c%10=O)O[C@H]([C@@H]8O)n8cnc9c8nc(N)[nH]c9=O)n8cc(C)c(=O)[nH]c8=O)n8cc(C)c(=O)[nH]c8=O)O[C@H]([C@@H]7O)n7cnc8c7nc(N)[nH]c8=O)O[C@H]([C@@H]6O)n6cnc7c6nc(N)[nH]c7=O)n6cc(C)c(=O)[nH]c6=O)O[C@H]([C@@H]5O)n5cnc6c5nc(N)[nH]c6=O)n5cc(C)c(=O)[nH]c5=O)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O

InChI Key InChIKey=GOMLCFUVZKLQCO-HTLAMOOLSA-N

Data  2 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 2 hits for monomerid = 50378698   

TargetProthrombin(Homo sapiens (Human))
University Of Science And Technology Of China

Curated by ChEMBL
LigandPNGBDBM50378698(CHEMBL1078314)
Affinity DataKd:  390nMAssay Description:Binding affinity to thrombin in presence of 100 mJ/cm'2 UV light by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of Science And Technology Of China

Curated by ChEMBL
LigandPNGBDBM50378698(CHEMBL1078314)
Affinity DataKd:  320nMAssay Description:Binding affinity to thrombin by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed