Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM337666'   

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))	BDBM337666 (US10227295, Compound JB7-20 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	604	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337666 (US10227295, Compound JB7-20 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	604	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of recombinant human full length HDAC1 expressed in baculovirus infected Sf9 insect cells using p53 (379 to 382 residues) derived RHKKAc a...				ACS Med Chem Lett 8: 1031-1036 (2017) Article DOI: 10.1021/acsmedchemlett.7b00223 BindingDB Entry DOI: 10.7270/Q2280B3G
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337666 (US10227295, Compound JB7-20 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1cccc(c1)N(C)C Show InChI InChI=1S/C21H28N4O3/c1-4-5-13-25(15-16-9-11-17(12-10-16)20(26)23-28)21(27)22-18-7-6-8-19(14-18)24(2)3/h6-12,14,28H,4-5,13,15H2,1-3H3,(H,22,27)(H,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	604	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