BDBM191596 6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (N8)

SMILES: CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N

InChI Key: InChIKey=UHVUUCAAVHIPKM-UHFFFAOYSA-N

Data: 13 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 15 hits for monomerid = 191596   

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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.50E+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 5A (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay				Bioorg Med Chem Lett 26: 4350-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.026
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP) (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	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
Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP) (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	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
Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP) (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	400	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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.80E+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 5A (KDM5A(aa 1-588)ΔAP) (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	27	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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	20	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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	490	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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	110	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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.33E+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))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin)				Bioorg Med Chem Lett 26: 4036-41 (2016) Article DOI: 10.1016/j.bmcl.2016.06.078
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin)				Bioorg Med Chem Lett 26: 4036-41 (2016) Article DOI: 10.1016/j.bmcl.2016.06.078
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5A (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of KDM5A (unknown origin) using ART(Kme3)QTARKSTGGKAPRKQLA-NovaTagPEG-biotin/1 uM 2-OG as substrate/co-factor by TR-FRET assay				Bioorg Med Chem Lett 26: 4350-4 (2016) Article DOI: 10.1016/j.bmcl.2016.07.026
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP) (Homo sapiens (Human))	BDBM191596 (6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5...) Show SMILES CC(C)c1c(C)[nH]c2c(cnn2c1=O)C#N Show InChI InChI=1S/C11H12N4O/c1-6(2)9-7(3)14-10-8(4-12)5-13-15(10)11(9)16/h5-6,14H,1-3H3	PDB GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	700	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