Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 2' and Ligand = 'BDBM465377'   

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))	BDBM465377 (US10793567, Compound 12 | US11225479, Compound 12) Show SMILES Cc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C19H18N6O/c1-12-7-14-10-25(11-15(14)9-22-12)19(26)24-18-16(20)4-5-17(23-18)13-3-2-6-21-8-13/h2-9H,10-11,20H2,1H3,(H,23,24,26)	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	>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))	BDBM465377 (US10793567, Compound 12 | US11225479, Compound 12) Show SMILES Cc1cc2CN(Cc2cn1)C(=O)Nc1nc(ccc1N)-c1cccnc1 Show InChI InChI=1S/C19H18N6O/c1-12-7-14-10-25(11-15(14)9-22-12)19(26)24-18-16(20)4-5-17(23-18)13-3-2-6-21-8-13/h2-9H,10-11,20H2,1H3,(H,23,24,26)	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	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