Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 3' and Ligand = 'BDBM50464790'   

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 3 (Homo sapiens (Human))	BDBM50464790 (CHEMBL4288953) Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem		n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50464790 (CHEMBL4288953) Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair