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

SMILES c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O

InChI Key InChIKey=OUQVKRKGTAUJQA-UHFFFAOYSA-N

Data  1 KI  25 IC50  3 Kd  1 EC50

PDB links: 19 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50193145   

TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

Affinity DataIC50: 73nMAssay Description:Inhibition of human PHD2 at 293K temperature by solvent relaxation techniqueMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/31/2010
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of PHD2 (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/19/2024
Entry Details
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TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
University College London

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of FTO (unknown origin)More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/19/2024
Entry Details
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TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
University College London

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/26/2023
Entry Details
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/13/2021
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TargetProlyl 4-hydroxylase(PBCV-1)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/17/2020
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/17/2020
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
7/17/2020
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
9/24/2013
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
9/24/2013
Entry Details Article
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TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
University College London

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
9/24/2013
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

Affinity DataIC50: 3.90E+3nMAssay Description:Inhibition of PHD2 (unknown origin) after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/13/2014
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human EGLN1More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
12/9/2012
Entry Details Article
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TargetLysine-specific demethylase 4A [1-973](Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/23/2017
Entry Details Article
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/23/2017
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
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TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/22/2016
Entry Details Article
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TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/10/2016
Entry Details Article
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TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/10/2016
Entry Details Article
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TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

Affinity DataKd:  1.22E+5nMAssay Description:Binding affinity to human BBOX by tryptophan fluorescence quenching binding assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/10/2016
Entry Details Article
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TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/10/2016
Entry Details Article
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TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
3/10/2016
Entry Details Article
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TargetLysine-specific demethylase 4E(Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetLysine-specific demethylase 5C(Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetLysine-specific demethylase 2A(Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetLysine-specific demethylase 3A(Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetD(2) dopamine receptor(Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProtUniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetLysine-specific demethylase 4C [1-973](Human)
University of Oxford

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
1/16/2014
Entry Details Article
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TargetProlyl 4-hydroxylase(PBCV-1)
University of Oxford

Curated by ChEMBL

LigandBDBM50193145(Isoquinoline 3 | CHEMBL426560 | N-[(1-CHLORO-4-HYD...)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/TrEMBL
GoogleScholar

Ligand InfoPurchaseCHEMBLDrugBankPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/20/2021
Entry Details Article
Copy Entry DOIPubMed
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