BDBM191601 3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (N16)

SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1

InChI Key InChIKey=BGMIWCIVXVXHDU-UHFFFAOYSA-N

Data  10 IC50  2 Kd

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 12 hits for monomerid = 191601   

TargetLysine-specific demethylase 5A [1-739](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 7.00E+3nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5B [1-755](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 2.10E+3nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5C [1-789](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 1.00E+4nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5D [1-760](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 1.80E+4nMT: 2°CAssay Description:For inhibition assays, powders of inhibitor compounds were dissolved in 100% (v/v) DMSO to give a 20 or 50 mM concentration and stored at -20 °C unti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5A [1-588](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataKd:  360nMAssay Description:ITC experiments were carried out at an enzyme [E] concentration of 25-50 μM with 0.25-1 mM compound [I] concentration in the KDM5 storage buffer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5B [1-604](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataKd:  430nMAssay Description:ITC experiments were carried out at an enzyme [E] concentration of 25-50 μM with 0.25-1 mM compound [I] concentration in the KDM5 storage buffer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5A [1-1090](Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 300nMpH: 7.2 T: 2°CAssay Description:Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 μL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5B(Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 177nMpH: 7.2 T: 2°CAssay Description:Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 μL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5C(Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 930nMpH: 7.2 T: 2°CAssay Description:Reactions were performed in 50 mM HEPES [pH 7.2 for KDM5 or pH 7.5 for KDM4A(1-350)] containing 0.01% BSA and 0.01% Tween-20. To each well, 3 μL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5B(Human)
Emory University

LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 2.10E+3nMAssay Description:Inhibition of N-terminal his6-tagged human KDM5B (1 to 769 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 5A(Human)
Ningbo University

Curated by ChEMBL
LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of N-terminal his6-tagged human KDM5A (1 to 797 residues) expressed in sf9 insect cells incubated for 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetLysine-specific demethylase 4C(Human)
Ningbo University

Curated by ChEMBL
LigandPNGBDBM191601(3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of KDM4C (unknown origin) incubated for 20 mins by Alphascreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2024
Entry Details
PubMed