Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM375745'   

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))	BDBM375745 (US10301323, Compound D12 | US9908899, Compound D12) Show SMILES CN(CCCn1cc(\C=C\C(=O)Nc2ccccc2N)cn1)c1ccccc1 Show InChI InChI=1S/C22H25N5O/c1-26(19-8-3-2-4-9-19)14-7-15-27-17-18(16-24-27)12-13-22(28)25-21-11-6-5-10-20(21)23/h2-6,8-13,16-17H,7,14-15,23H2,1H3,(H,25,28)/b13-12+	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	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 49: 1202-6 (2006) BindingDB Entry DOI: 10.7270/Q2JD504D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM375745 (US10301323, Compound D12 | US9908899, Compound D12) Show SMILES CN(CCCn1cc(\C=C\C(=O)Nc2ccccc2N)cn1)c1ccccc1 Show InChI InChI=1S/C22H25N5O/c1-26(19-8-3-2-4-9-19)14-7-15-27-17-18(16-24-27)12-13-22(28)25-21-11-6-5-10-20(21)23/h2-6,8-13,16-17H,7,14-15,23H2,1H3,(H,25,28)/b13-12+	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	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The HDAC activity inhibition assay was performed as follows to determine the ability of a test compound to inhibit HDAC enzymatic activity. Serial di...				J Med Chem 50: 685-95 (2007) BindingDB Entry DOI: 10.7270/Q2736T75
					More data for this Ligand-Target Pair