BDBM50276074 CHEMBL470791::HDAC inhibitor, Compound 2::N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,7-diazaspiro[3.5]nonan-7-yl)nicotinamide
SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC2=O)CC1)-c1cccs1
InChI Key: InChIKey=BHUJWKLXOJFZOZ-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 |
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Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [35S]MK499 from human ERG expressed in HEK293 cells | Bioorg Med Chem Lett 18: 6104-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.052 BindingDB Entry DOI: 10.7270/Q23R0SQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 53.8 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human HDAC1 expressed in mammalian cells | Bioorg Med Chem Lett 18: 6104-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.052 BindingDB Entry DOI: 10.7270/Q23R0SQ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 10 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 24.6 | n/a | n/a | n/a | 8.0 | n/a |
Genentech, Inc. | Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 48.1 | n/a | n/a | n/a | 8.0 | n/a |
Genentech, Inc. | Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.93 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc. | Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... | J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ | |||||||||||
More data for this Ligand-Target Pair |