BDBM50596053 CHEMBL5173876

SMILES c1ccc(cc1)Cc2ccncc2C(=O)NNC(=O)/C=C/C(=O)O

InChI Key InChIKey=OYQFTVWCICJGMS-UHFFFAOYSA-N

Data  15 IC50

PDB links: 1 PDB ID matches 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 15 hits for monomerid = 50596053   

TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 930nMAssay Description:Inhibition of FTO (unknown origin) demethylation activity by HPLC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 6B(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 1.37E+4nMAssay Description:Inhibition of human KDM6B preincubated for 15 mins followed by substrate addition and measured after 5 mins using H3(21-44)K27Me3-GK-biotin peptide a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 1.25E+4nMAssay 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
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of recombinant N-terminal hexahistidine-tagged human PDH2 (181 to 426 residues) expressed in Escherichia coli BL21 (DE3) preincubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetLysine-specific demethylase 3A(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 400nMAssay Description:Inhibition of human KDM3A preincubated for 15 mins followed by substrate addition and measured after 5 mins using H3(1-21)K9Me2-GGK-Biotin peptide as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetLysine-specific demethylase 4C(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human KDM4C preincubated for 15 mins followed by substrate addition and measured after 15 mins using H3(1-21)K9Me3-GGK-Biotin peptide a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetLysine-specific demethylase 5B(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 8.39E+4nMAssay Description:Inhibition of human KDM5B preincubated for 15 mins followed by substrate addition and measured after 20 mins using H3(1-21)K4Me3-GGK-Biotin peptide a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetLysine-specific demethylase 2A(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 63nMAssay Description:Inhibition of human KDM2A preincubated for 15 mins followed by substrate addition and measured after 30 mins using Biotin-H3(28-48)K36Me2 peptide as ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase AlkB(Escherichia coli (strain K12))
University College London

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 3.35E+4nMAssay Description:Inhibition of Escherichia coli AlkB using 15-mer m1A-ssDNA as substrate incubated for 10 mins by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase FTO(Human)
Kyoto Prefectural University of Medicine

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 810nMAssay Description:Inhibition of human full length FTO expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells using 3-methylthymidine as substrate incubated for 1 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetDNA oxidative demethylase ALKBH2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 2.59E+4nMAssay Description:Inhibition of human ALKBH2 (56 to 258 residues) expressed in Escherichia coli BL21 (DE3) cells using 15-mer m1A-ssDNA as substrate incubated for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetAlpha-ketoglutarate-dependent dioxygenase alkB homolog 3(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 6.62E+4nMAssay Description:Inhibition of N-terminal His-tagged human ALKBH3 (1 to 286 residues) using m6A-ssDNA as substrate incubated for 30 mins by MALDI-TOF-MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetRNA demethylase ALKBH5(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 1.08E+5nMAssay Description:Inhibition of human ALKBH5 expressed in Escherichia coli BL21 (DE3) Rosetta T1R cells using 5-mer m6A-ssRNA as substrate incubated for 30 mins by HPL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetEgl nine homolog 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of C-terminal MYC/DDK tagged full length human PHD2 using 19 mer peptide substrate DLDLEMLAPYIPMDDDFQL incubated for 30 mins by MALDI-base...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetLysine-specific demethylase 4A(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50596053(CHEMBL5173876)
Affinity DataIC50: 3.00E+5nMAssay Description:Inhibition of human KDM4A expressed in Escherichia coli BL21 (DE3) rosetta T1R cells using ARK(me3)STGGK as substrate incubated for 30 mins by MALDI-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed