BDBM50193145 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetic acid::CHEMBL426560::Isoquinoline 3::N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE

SMILES OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O

InChI Key InChIKey=OUQVKRKGTAUJQA-UHFFFAOYSA-N

Data  1 KI  25 IC50  3 Kd  1 EC50

PDB links: 19 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50193145   

TargetGamma-butyrobetaine dioxygenase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  3.30E+4nMAssay Description:Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  3.60E+4nMAssay Description:Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataKd:  1.22E+5nMAssay Description:Binding affinity to human BBOX by tryptophan fluorescence quenching binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataKd:  1.30E+4nMAssay Description:Binding affinity to human BBOX in presence of Fe(II) by tryptophan fluorescence quenching binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed