BDBM189429 US9174974, Example 14

SMILES CCN(CC)C(=O)c1ccc2NC(=O)OC[C@H](C)c3ccc(cc3C)[C@@H](Nc3ccc4c(N)nccc4c3)C(=O)N(C)Cc1c2

InChI Key InChIKey=KHVYVAAEFVFJSL-WKRVVKTRSA-N

Data  7 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 7 hits for monomerid = 189429   

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

US Patent
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi:  0.570nMAssay 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/Tissue factor(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi:  0.570nMAssay 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
TargetKallikrein-1(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi:  600nMAssay 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 VII(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi:  600nMpH: 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
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb R & D

Curated by ChEMBL
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi:  4.30E+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
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi:  6.10E+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
LigandPNGBDBM189429(US9174974, Example 14)
Affinity DataKi: >1.00E+4nMAssay 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