BDBM189445 US9174974, Example 31

SMILES C[C@H]1COC(=O)Nc2ccc(c(CN(C)C(=O)[C@H](Nc3ccc4c(N)nccc4c3)c3ccc1c(C)c3)c2)S(=O)(=O)C1CC1

InChI Key InChIKey=DKEJQQLJGULWDZ-WENCNXQZSA-N

Data  8 KI

  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 8 hits for monomerid = 189445   

TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  0.160nMAssay Description:Inhibition of human TF-factor 7a (366 to 11 residues) using factor 10 as substrate after 60 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor VII/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb Research & Development

Curated by ChEMBL
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  0.160nMAssay Description:Inhibition of full-length human TF/recombinant human factor 7a assessed as decrease in conversion of factor 10 to factor 10a by measuring S2765 hydro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor VII(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  0.170nMAssay Description:FVIIa-Xase Ki (37° C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCoagulation factor VII(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  270nMpH: 7.4Assay Description:Tissue kallikrein-1 (37° C) activity was determined in reactions containing 0.05 nM enzyme and 90 μM substrate (H-D-Val-Leu-Arg-AFC) in buffer (...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKallikrein-1(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  270nMAssay Description:Inhibition of human HK1 using H-D-Val-Leu-Arg-AFC as substrate assessed as release of AFC after 10 to 120 mins by spectrofluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  1.80E+3nMAssay Description:Inhibition of human factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectroph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition of human factor 11a using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189445(US9174974, Example 31)
Affinity DataKi:  3.80E+3nMAssay Description:Inhibition of alpha-thrombin (unknown origin) using pyroGlu-Pro-Arg-pNA as substrate assessed as release of pNA after 10 to 120 mins by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed