BDBM349975 (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US10208021, Example 184

SMILES CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=WYFCZWSWFGJODV-MIANJLSGSA-N

Data  13 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 349975   

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

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi:  0.710nMAssay Description:Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: <5nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi:  310nMAssay Description:Inhibition of human plasma kallikrein using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >3.00E+3nMAssay Description:Inhibition of human factor 12a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >6.20E+3nMAssay Description:Inhibition of human TPA using methylsulfonyl-D-cyclohexylalanyl-Gly-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >9.00E+3nMAssay Description:Inhibition of human factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric metho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKallikrein-1(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human tissue kallikrein-1 using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor VII(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >1.30E+4nMAssay Description:Inhibition of human factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >1.30E+4nMAssay Description:Inhibition of human thrombin using pyro-Glu-Pro-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >1.50E+4nMAssay Description:Inhibition of human urokinase using pyro-Glu Gly-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K-dependent protein C(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >2.10E+4nMAssay Description:Inhibition of human activated protein C using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >2.50E+4nMAssay Description:Inhibition of human plasmin using H-(D)-Val-Leu-Lys-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor IX(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM349975((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi: >2.70E+4nMAssay Description:Inhibition of human factor 9a using methylsulfonyl-D-cyclohexylglycylGly-Arg-AMC as substrate at 37 degC after 10 to 120 mins by spectrophotometric m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed