Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP3 [R100H]' and Ligand = 'BDBM240720'   

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))	BDBM240720 (US9422243, 20) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C18H15FN2O4/c19-11-2-3-12-13(8-11)18(22)21-16(17(12)23-6-5-20)10-1-4-14-15(7-10)25-9-24-14/h1-4,7-8H,5-6,9,20H2,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. a corporation US Patent					Assay Description The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...				US Patent US9422243 (2016) BindingDB Entry DOI: 10.7270/Q2T72GBH
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