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

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

InChI Key: InChIKey=BGMIWCIVXVXHDU-UHFFFAOYSA-N

Data: 7 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 191601   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lysine-specific demethylase 5A (KDM5A(aa 1-739)ΔAP(2C-2S)) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	7.2	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5B(aa 1-604)ΔAP) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (KDM5A(aa 1-1090)-Flag) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.2	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	7.2	25
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (KDM5A(aa 1-588)ΔAP) (Homo sapiens (Human))	BDBM191601 (3-(2-(4-chlorophenyl)acetamido)isonicotinic acid (...) Show SMILES OC(=O)c1ccncc1NC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Emory University					Assay 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...				Cell Chem Biol 23: 769-81 (2016) Article DOI: 10.1016/j.chembiol.2016.06.006 BindingDB Entry DOI: 10.7270/Q2BZ64VH
					More data for this Ligand-Target Pair				3D Structure (crystal)