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SMILES: CCOC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
InChI Key: InChIKey=WCILOMUUNVPIKQ-UHFFFAOYSA-N
| 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 [1-739] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet  | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.03E+5 | 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)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of KDM5C in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluoresc... | J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5C [1-789] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.30E+5 | 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 [1-760] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.90E+5 | 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 [1-588] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | >1.00E+4 | 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 | |||||||||||||
| Lysine-specific demethylase 5B [1-604] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | >8.00E+3 | 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 | |||||||||||||
| Lysine-specific demethylase 5A [1-1090] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 303 | 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 (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 330 | 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)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 580 | 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 (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 4C (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5A (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5B (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5C (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5D (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 3A (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 4A (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 4C (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 6B (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 2A (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford | Assay Description We previously described 4-carboxy-2-triazolopyridines as selective KDM2 inhibitors (England et al., 2014). In efforts to find alternative scaffolds b... | Cell Chem Biol 24: 371-380 (2017) Article DOI: 10.1016/j.chembiol.2017.02.006 BindingDB Entry DOI: 10.7270/Q23N2288 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 4C (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of KDM4C (1 to 349 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for 10... | J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5B (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of KDM5B (1 to 809 residues) (unknown origin) expressed in Escherichia coli using biotin-H3K4me3 as substrate preincubated for 10 mins fol... | J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 6A (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of KDM6A (919 to 1401 residues) (unknown origin) expressed in Escherichia coli using biotinylated histone H3 as substrate preincubated for... | J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5B (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Inhibition of KDM5B in human U2OS cells assessed as reduction in demethylation of H3K4me3 after 20 hrs by Hoechst 33342 staining based immunofluoresc... | J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Lysine-specific demethylase 5B [1-755] (Homo sapiens (Human)) | BDBM191599 (KDOAM-21 | ethyl 2-(((2-((2-(dimethylamino)ethyl)(...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.10E+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 | |||||||||||||
