Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM465378'   

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 2 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	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	>1.50E+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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM465378 (US10793567, Compound 14 | US11225479, Compound 14) Show SMILES Cc1ncc2CN(Cc2n1)C(=O)Nc1nc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN6O/c1-11-22-8-13-9-26(10-17(13)23-11)19(27)25-18-15(21)6-7-16(24-18)12-2-4-14(20)5-3-12/h2-8H,9-10,21H2,1H3,(H,24,25,27)	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	2.75E+3	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