Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP3 [R100H]' and Ligand = 'BDBM50104288'   

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
Protein mono-ADP-ribosyltransferase PARP3 [R100H] (Homo sapiens (Human))	BDBM50104288 (CHEMBL3594137) Show SMILES CC(C)(C)c1ccc(cc1)C1NC(=O)c2ccccc2N1 Show InChI InChI=1S/C18H20N2O/c1-18(2,3)13-10-8-12(9-11-13)16-19-15-7-5-4-6-14(15)17(21)20-16/h4-11,16,19H,1-3H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of full-length human ARTD3 using 500 nM NAD substrate after 1 hrs incubation				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
					More data for this Ligand-Target Pair