BDBM12596 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE::4-{[(E)-2-(5-chlorothiophen-2-yl)ethene]sulfonyl}-1-{1H-pyrrolo[3,2-c]pyridin-2-ylmethyl}piperazin-2-one::CHEMBL423417::Ketopiperazine::RPR209685

SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1

InChI Key InChIKey=PLWVUIRWJVKSSD-UHFFFAOYSA-N

Data  5 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 12596   

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

LigandPNGBDBM12596(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Affinity DataKi:  1.10nM ΔG°:  -12.1kcal/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

LigandPNGBDBM12596(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity (in vitro) of the compound towards human Coagulation factor X was determined at 5 mg/kg peroral doseMore data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12596(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM12596(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
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
TargetProthrombin(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM12596(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
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