Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50165479'   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50165479 (1-[2-Fluoro-5-(4-oxo-3,4-dihydro-phthalazin-1-ylme...) Show SMILES CC1(C)CC(=O)N(C1=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C21H18FN3O3/c1-21(2)11-18(26)25(20(21)28)17-10-12(7-8-15(17)22)9-16-13-5-3-4-6-14(13)19(27)24-23-16/h3-8,10H,9,11H2,1-2H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Horsham Ltd Curated by ChEMBL					Assay Description Inhibitory concentration against human poly (ADP-ribose) polymerase 1 (PARP-1)				Bioorg Med Chem Lett 15: 2235-8 (2005) Article DOI: 10.1016/j.bmcl.2005.03.026 BindingDB Entry DOI: 10.7270/Q2QV3M0B
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