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  23 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
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 28 hits for monomerid = 50193145   

TargetProlyl 4-hydroxylase(Paramecium bursaria Chlorella virus 1)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataKi:  710nMAssay Description:Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of recombinant full length N-terminal hexahistidine-tagged human FTO demethylation activity expressed in Escherichia coli BL21 (DE3) incub...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 3A(Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 2A(Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 5C(Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  5.50E+5nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4E(Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More 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:  3.30E+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
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of PHD2 in human Hep3B cells assessed as erythropoietin secretion by ELISAMore data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  300nMAssay Description:Inhibition of recombinant PHD2 (unknown origin) catalytic domain (181 to 426 residues) expressed in Escherichia coli BL21 (DE3) cells using boitinyla...More data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  424nMAssay Description:Displacement of FITC-HIF-1alpha (556 to 574 residues) from PHD2 (181 to 426 residues) (unknown origin) after 60 mins by fluorescence polarization ass...More data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  73nMAssay Description:Inhibition of human PHD2 at 293K temperature by solvent relaxation techniqueMore data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  1.40E+3nMAssay Description:Inhibition of human EGLN1More data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  3.90E+3nMAssay Description:Inhibition of PHD2 (unknown origin) after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Homo sapiens (Human))
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  2.80E+3nMAssay Description:Inhibition of human hexahistidine-tagged full-length FTO expressed in Escherichia coli BL21 (DE3) using 3-methylthymidine as substrate assessed as in...More data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  70nMAssay Description:Inhibition of human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataKd:  80nMAssay Description:Binding affinity to human PHD2 catalytic domain (181 to 426) Mn2 expressed in Escherichia coli by NMR spectroscopic analysisMore data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  7.50E+3nMAssay Description:Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC complex using biotin-labeled HIF1-alpha peptide as substrate preincub...More data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataEC50:  7.90E+4nMAssay Description:Inhibition of PHD2 in human Hep3B cells assessed as increase in EPO release after 24 hrs by ELISAMore data for this Ligand-Target Pair
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  300nMAssay Description:Inhibition of PHD2 (181 to 426 residues) (unknown origin) using biotinylated CODD peptide as substrate preincubated for 15 mins followed by substrate...More data for this Ligand-Target Pair
TargetProlyl 4-hydroxylase(Paramecium bursaria Chlorella virus 1)
University Of Oxford

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of N-terminal His6-tagged recombinant Paramecium bursaria chlorella virus 1 CPH expressed in Escherichia coli Rosetta 2 (DE3) cells pre-in...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEgl nine homolog 1(Homo sapiens (Human))
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50:  640nMAssay Description:Inhibition of HIF-PHD2 (unknown origin) using FAM-HIF2alpha peptide incubated for 20 to 40 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetLysine-specific demethylase 4A [1-973](Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine-specific demethylase 4C [1-973](Homo sapiens (Human))
University Of Oxford

LigandPNGBDBM50193145(2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)ac...)
Affinity DataIC50: >2.00E+4nMpH: 7.5Assay Description:Inhibition assays were carried out in 384-well white ProxiPlates(PerkinElmer) in 10 μL of reaction volume. Standard reaction mixturesconsisted o...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed