BDBM50123776 CHEMBL161158::{2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo-piperazin-1-ylmethyl]-pyrrolo[3,2-c]pyridin-1-yl}-acetic acid

SMILES OC(=O)Cn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12

InChI Key InChIKey=NVNOZTZNKBRSDF-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50123776   

TargetCoagulation factor X(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50123776({2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-ox...)
Affinity DataKi:  154nMAssay Description:In vitro binding affinity for human Coagulation factor XMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50123776({2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-ox...)
Affinity DataKi: >2.90E+3nMAssay Description:Binding affinity towards trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProthrombin(Human)
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50123776({2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-ox...)
Affinity DataKi: >3.90E+3nMAssay Description:Binding affinity towards thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed