null

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

InChI Key InChIKey=NVKDOURNRJCKJE-INIZCTEOSA-N

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 = 14058   

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

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q21R6R1BPubMed
TargetSerine protease 1(Bos taurus (bovine))
Aventis Pharma

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q25H7DHPPubMed
TargetProthrombin(Homo sapiens (Human))
Aventis Pharma

LigandPNGBDBM14058(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q25H7DHPPubMed