Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein mono-ADP-ribosyltransferase PARP3 [R100H]' and Ligand = 'BDBM240721'   

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))	BDBM240721 (US9422243, 21) Show SMILES COc1ccc(cc1F)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN Show InChI InChI=1S/C18H16F2N2O3/c1-24-15-5-2-10(8-14(15)20)16-17(25-7-6-21)12-4-3-11(19)9-13(12)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	50	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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