Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50398721'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398721 (CHEMBL2179617 | US10227295, Compound 5f | US940985...) Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	8.0	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9409858 (2016) BindingDB Entry DOI: 10.7270/Q21V5CWN
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398721 (CHEMBL2179617 | US10227295, Compound 5f | US940985...) Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate				J Med Chem 55: 9891-9 (2012) Article DOI: 10.1021/jm301098e BindingDB Entry DOI: 10.7270/Q2WQ04XP
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398721 (CHEMBL2179617 | US10227295, Compound 5f | US940985...) Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd.					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 6581-91 (2008) BindingDB Entry DOI: 10.7270/Q2BZ68CW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398721 (CHEMBL2179617 | US10227295, Compound 5f | US940985...) Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				J Med Chem 51: 196-218 (2008) BindingDB Entry DOI: 10.7270/Q2VD71RF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50398721 (CHEMBL2179617 | US10227295, Compound 5f | US940985...) Show SMILES COCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H21N3O4/c1-25-12-11-21(18(23)19-16-5-3-2-4-6-16)13-14-7-9-15(10-8-14)17(22)20-24/h2-10,24H,11-13H2,1H3,(H,19,23)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute, Inc.; Board of Trustees of the University of Illinois US Patent					Assay Description HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a bacu...				US Patent US9751832 (2017) BindingDB Entry DOI: 10.7270/Q23T9KBR
					More data for this Ligand-Target Pair