BDBM191602 3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)isonicotinic acid (N12)::US10040779, Example 52::US10336727, Example 52::US9617242, Example 52

SMILES: Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12

InChI Key: InChIKey=RBGNHCYGFBRIRO-UHFFFAOYSA-N

Data: 16 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 18 hits for monomerid = 191602   

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))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6.00E+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 4C (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Inc US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US10336727 (2019) BindingDB Entry DOI: 10.7270/Q2571FBT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP) (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.90E+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))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+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 5A (KDM5A(aa 1-588)ΔAP) (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	450	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 5B (KDM5B(aa 1-604)ΔAP) (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	330	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))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	700	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))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	780	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 5C (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(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	1.40E+3	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 (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q26H4KF1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<0.100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q26H4KF1
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research, Inc. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US10040779 (2018) BindingDB Entry DOI: 10.7270/Q26H4KF1
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2XK8HM5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2XK8HM5
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4C (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent					Assay Description The ability of test compounds to inhibit the activity of JMJD2C was determined in 384-well plate format under the following reaction conditions: 0.3 ...				US Patent US9617242 (2017) BindingDB Entry DOI: 10.7270/Q2XK8HM5
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Inc US Patent					Assay Description The enzymatic assay of Jarid1A activity is based upon Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The ability of test c...				US Patent US10336727 (2019) BindingDB Entry DOI: 10.7270/Q2571FBT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene Quanticel Research Inc US Patent					Assay Description The ability of test compounds to inhibit the activity of Jarid1B was determined in 384-well plate format under the following reaction conditions: 0.8...				US Patent US10336727 (2019) BindingDB Entry DOI: 10.7270/Q2571FBT
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP) (Homo sapiens (Human))	BDBM191602 (3-((1-methyl-1Hpyrrolo[2,3-b]pyridin-3-yl)amino)is...) Show SMILES Cn1cc(Nc2cnccc2C(O)=O)c2cccnc12 Show InChI InChI=1S/C14H12N4O2/c1-18-8-12(9-3-2-5-16-13(9)18)17-11-7-15-6-4-10(11)14(19)20/h2-8,17H,1H3,(H,19,20)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.30E+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