BDBM12592 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE::3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzene-1-carboximidamide::Ketopiperazine::RPR132747

SMILES c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl

InChI Key InChIKey=PRMSFVUWLBPPLY-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 12592   

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12592(3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-o...)
Affinity DataKi:  4nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12592(3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-o...)
Affinity DataKi:  18nM ΔG°:  -10.5kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2006
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine protease 1(Bovine)
Aventis Pharma

LigandPNGBDBM12592(3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-o...)
Affinity DataKi: >2.90E+3nM ΔG°: >-7.47kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2006
Entry Details Article
PubMed
TargetProthrombin(Human)
Aventis Pharma

LigandPNGBDBM12592(3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-o...)
Affinity DataKi: >4.00E+3nM ΔG°: >-7.28kcal/molepH: 7.5 T: 2°CAssay Description:The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2006
Entry Details Article
PubMed
TargetProthrombin(Human)
Aventis Pharma

LigandPNGBDBM12592(3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-o...)
Affinity DataKi: >4.00E+3nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2013
Entry Details Article
PubMed