Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM417068'   

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))	BDBM417068 (US10456394, Example 6) Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc23)cc1 Show InChI InChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate pr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02210 BindingDB Entry DOI: 10.7270/Q2222ZJF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM417068 (US10456394, Example 6) Show SMILES ONC(=O)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc23)cc1 Show InChI InChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)	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	2.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS US Patent					Assay Description The effectiveness, or potency, of a present HDACI with respect to inhibiting the activity of an HDAC is measured by an IC50 value. The quantitative I...				US Patent US10456394 (2019) BindingDB Entry DOI: 10.7270/Q2Q81GFW
					More data for this Ligand-Target Pair