BDBM50455289 CHEMBL4212514

SMILES CCOC(=O)c1c(C)oc2cc(OCc3ccccc3)c(OCc3oc4cc(OCC5CCCCC5)c(OS([O-])(=O)=O)cc4c3C(=O)OCC)cc12

InChI Key InChIKey=MXFGSMDIKRPNMZ-UHFFFAOYSA-M

Data  9 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50455289   

TargetProthrombin(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 3.60E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataKd:  1.00E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 2.00E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 3.60E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 2.00E+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
LigandPNGBDBM50455289(CHEMBL4212514)
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 10 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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 2.80E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 2.90E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 2.60E+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
LigandPNGBDBM50455289(CHEMBL4212514)
Affinity DataIC50: 2.60E+3nMAssay 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