BDBM50230322 CHEMBL4071545

SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=LCHKINZSWVDWJQ-XYWZPVONSA-N

Data  14 KI

PDB links: 1 PDB ID matches this monomer.

  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 14 hits for monomerid = 50230322   

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

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  0.160nMAssay Description:Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric methodMore data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  0.160nMAssay Description:Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  0.160nMAssay Description:Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric methodMore data for this Ligand-Target Pair
TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  0.160nMAssay Description:Inhibition of recombinant human activated coagulation factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometryMore data for this Ligand-Target Pair
TargetPlasma kallikrein(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  16nMAssay Description:Inhibition of human plasma kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor VII(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  1.67E+3nMAssay Description:Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate after 10 to 120 mins at 25 degC by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor XII(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >3.05E+3nMAssay Description:Inhibition of human coagulation factor 12a using H-(D)-CHT-Gly-Arg-pNA as substrate after 10 to 120 mins at 25 degC 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
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi:  5.05E+3nMAssay Description:Inhibition of human urokinase using pyro-Glu-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC 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
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >6.15E+3nMAssay Description:Inhibition of human tissue plasminogen activator using methylsulfonyl-D-cyclohexylalanyl-GlyArg-pNA as substrate after 10 to 120 mins at 37 degC by s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >1.15E+4nMAssay Description:Inhibition of human thrombin using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >1.33E+4nMAssay Description:Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH,OMe)-Gly-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotom...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPlasminogen(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >1.42E+4nMAssay Description:Inhibition of human plasmin using H-(D)-Val-Leu-LyspNA as substrate after 10 to 120 mins at 37 degC 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
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >2.15E+4nMAssay Description:Inhibition of human activated protein C using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor IX(Homo sapiens (Human))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50230322(CHEMBL4071545)
Affinity DataKi: >2.71E+4nMAssay Description:Inhibition of human coagulation factor 9a using methylsulfonyl-D-cyclohexylglycyl-Gly-Arg-AMC as substrate after 10 to 120 mins at 37 degC by spectro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed