BDBM50098591 CHEMBL3594305

SMILES c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N

InChI Key InChIKey=LXFPTSIBSQOGTO-UHFFFAOYSA-N

Data  9 KI

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50098591   

TargetKallikrein-1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi:  18nMAssay Description:Inhibition of human tissue kallikrein 1 measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi:  400nMAssay Description:Inhibition of human recombinant TF/F7a complex using S2288 as substrate preincubated for 15 mins followed by protein addition measured for 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi:  400nMAssay Description:Inhibition of human Tissue factor/factor 7aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/6/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetVitamin K-dependent protein C(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi:  2.80E+3nMAssay Description:Inhibition of human APC measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed
TargetPlasma kallikrein(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi: >6.00E+3nMAssay Description:Inhibition of human plasma kallikrein using S2302 as substrate measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed
TargetTrypsin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi: >6.00E+3nMAssay Description:Inhibition of human trypsin measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi: >9.00E+3nMAssay Description:Inhibition of human F10a using S2222 as substrate measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed
TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi: >1.30E+4nMAssay Description:Inhibition of human thrombin using S2238 as substrate measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50098591(CHEMBL3594305)
Affinity DataKi: >3.50E+4nMAssay Description:Inhibition of human F9a measured for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2016
Entry Details Article
PubMed