BDBM14058 CHEMBL316053::N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxo-pyrrolidin-3-yl]-7-thia-2-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-sulfonamide::N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide::RPR208815

SMILES Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12

InChI Key InChIKey=NVKDOURNRJCKJE-INIZCTEOSA-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 = 14058   

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

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
Affinity DataKi:  22nM ΔG°:  -10.3kcal/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

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
Affinity DataKi:  22nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
TargetCoagulation factor X(Bos taurus)
Rh£Ne-Poulenc Rorer

Curated by ChEMBL
LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
Affinity DataKi:  22nMAssay Description:In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
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

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
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