Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM465368'   

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))	BDBM465368 (US10793567, Compound 2 | US11225479, Compound 2) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)s1 Show InChI InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				Citation and Details BindingDB Entry DOI: 10.7270/Q2H998DG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM465368 (US10793567, Compound 2 | US11225479, Compound 2) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)s1 Show InChI InChI=1S/C17H15FN6OS/c1-9-20-6-10-7-24(8-13(10)21-9)17(25)23-16-11(19)2-3-12(22-16)14-4-5-15(18)26-14/h2-6H,7-8,19H2,1H3,(H,22,23,25)	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	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description The following describes an assay protocol for measuring the deacetylation of a peptide substrate by the enzymes HDAC2 or HDAC1. Enzyme, substrate, an...				US Patent US10793567 (2020) BindingDB Entry DOI: 10.7270/Q2542RNX
					More data for this Ligand-Target Pair