Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP3 [R100H]' and Ligand = 'BDBM240718'   

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))	BDBM240718 (US9422243, 18) Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCCC2)c(Br)c1 Show InChI InChI=1S/C21H21BrFN3O2/c22-17-11-13(3-6-18(17)26-8-1-2-9-26)19-20(28-10-7-24)15-5-4-14(23)12-16(15)21(27)25-19/h3-6,11-12H,1-2,7-10,24H2,(H,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20	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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