BDBM50455284 CHEMBL4210645

SMILES CCOC(=O)c1c(C)oc2cc(OCCc3ccccc3)c(OCc3oc4cc(OC)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12

InChI Key InChIKey=CDAKYYDKPSQPDU-UHFFFAOYSA-M

Data  9 IC50  2 Kd

  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 11 hits for monomerid = 50455284   

TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 15 uM ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 1.80E+3nMAssay Description:Partial allosteric inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition by spectropho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 20 uM ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataKd:  2.80E+3nMAssay Description:Binding affinity to wild-type thrombin (unknown origin) by intrinsic fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 5 uM exo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 30 uM ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 50 uM ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataKd:  3.70E+3nMAssay Description:Binding affinity to human fluorescence labelled FPRCK-alpha thrombin by fluorimetric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in absence of exosite 1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455284(CHEMBL4210645)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human thrombin using spectrozyme TH as substrate pretreated for 10 mins followed by substrate addition measured in presence of 10 uM ex...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed