Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM337664'   

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))	BDBM337664 (US10227295, Compound JB6-22 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ncccn1 Show InChI InChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24)	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	2.74E+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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM337664 (US10227295, Compound JB6-22 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ncccn1 Show InChI InChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24)	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	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Concentration required to protect the cell against HIV-1 strain IIIB viral cytopathogenicity by 50% in MT-4 cells				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))	BDBM337664 (US10227295, Compound JB6-22 | US9751832, Compound ...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ncccn1 Show InChI InChI=1S/C17H21N5O3/c1-2-3-11-22(17(24)20-16-18-9-4-10-19-16)12-13-5-7-14(8-6-13)15(23)21-25/h4-10,25H,2-3,11-12H2,1H3,(H,21,23)(H,18,19,20,24)	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	2.74E+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