null

SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1

InChI Key InChIKey=PQJGWYQPOHCEDO-ZDUSSCGKSA-N

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 14059   

TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  0.700nM ΔG°:  -12.4kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7DHPPubMed
TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  0.700nMAssay Description:Binding affinity against serine protease factor Xa (fXa)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66K02PubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  360nMAssay Description:Binding affinity against tissue plasminogen activator (t-Pa)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66K02PubMed
TargetSerine protease 1(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity against trypsinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66K02PubMed
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  1.00E+3nM ΔG°:  -8.10kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
TargetPlasminogen(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  2.30E+3nMAssay Description:Binding affinity against plasminMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66K02PubMed
TargetProthrombin(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi: >4.00E+3nM ΔG°: >-7.28kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25H7DHPPubMed
TargetProthrombin(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  4.00E+3nMAssay Description:Binding affinity against thrombinMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66K02PubMed
TargetVitamin K-dependent protein C(Homo sapiens (Human))
Rhône-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14059(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)copy SMILEScopy InChI
Affinity DataKi:  5.20E+3nMAssay Description:Binding affinity against activated protein C (APC)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W66K02PubMed