BDBM12595 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE::4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-1-{[1-(2-hydroxyethyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]methyl}piperazin-2-one::CHEMBL157813::Ketopiperazine::RPR208944

SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12

InChI Key InChIKey=NZNFLUOJACWZKX-UHFFFAOYSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 12595   

TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12595(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
Affinity DataKi:  3nM ΔG°:  -11.5kcal/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
TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12595(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
Affinity DataKi:  3nMAssay Description:Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 10 mg/kg peroral doseMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM12595(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
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 DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12595(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
Affinity DataKi: >2.90E+3nMAssay Description:Binding affinity towards trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12595(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
Affinity DataKi: >3.90E+3nMAssay Description:Binding affinity towards thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Aventis Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12595(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
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 DepthDetails ArticlePubMed