BDBM50425649 CHEMBL2315239

SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(NC(=O)CN4CCN(CC4)CC(=O)Nc4ccc(C[C@@H](NS(=O)(=O)Cc5ccccc5)C(=O)N2)cc4)cc3)cc1

InChI Key InChIKey=KODRHCNJBWRWGP-UHFFFAOYSA-N

Data  16 KI  5 IC50

  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 21 hits for monomerid = 50425649   

TargetCytochrome P450 1A2(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP1A2 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 30 mins by spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human recombinant CYP2C9 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 45 mins by spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human recombinant CYP2D6 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 45 mins by spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of human recombinant CYP3A4 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 30 mins by spectrofluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant CYP2C19 expressed in Trichoplusia ni BTI-TN-5B1-4 cells preincubated for 15 mins measured after 45 mins by spectroflu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetPlasminogen(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  0.680nMAssay Description:Inhibition of human plasmin protease domain using Tos-Gly-Pro-Lys-pNA as substrate by micro plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  44nMAssay Description:Inhibition of human trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetTrypsin(Pig)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  63nMAssay Description:Inhibition of pig trypsin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetPlasma kallikrein(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  320nMAssay Description:Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCoagulation factor XI(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  4.70E+3nMAssay Description:Inhibition of human FXIaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  8.90E+3nMAssay Description:Inhibition of human uPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human factor Xa using CH3OCO-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetProthrombin(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi:  1.39E+4nMAssay Description:Inhibition of human thrombin using CH3SO2-D-Cha-Gly-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetVitamin K-dependent protein C(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >2.50E+4nMAssay Description:Inhibition of human activated protein C using H-D-Lys(Cbz)-Pro-Arg-pNA as substrate after 5 to 10 mins by micro plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCoagulation factor VIII(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >3.00E+4nMAssay Description:Inhibition of human FVIIaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetComplement C1r subcomponent(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human C1rMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetKallikrein-1(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of urinary kallikrein (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetTissue-type plasminogen activator(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human tPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human FIXaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetCoagulation factor XII(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human FXIIaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetComplement C1s subcomponent(Human)
Philipps University Marburg

Curated by ChEMBL
LigandPNGBDBM50425649(CHEMBL2315239)
Affinity DataKi: >1.00E+5nMAssay Description:Inhibition of human C1sMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed