Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50309227'   

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))	BDBM50309227 (6-(4-fluoro-3-(1,7-diazaspiro[3.5]nonane-7-carbony...) Show SMILES Cc1c(C)c(=O)[nH]nc1Cc1ccc(F)c(c1)C(=O)N1CCC2(CCN2)CC1 Show InChI InChI=1S/C21H25FN4O2/c1-13-14(2)19(27)25-24-18(13)12-15-3-4-17(22)16(11-15)20(28)26-9-6-21(7-10-26)5-8-23-21/h3-4,11,23H,5-10,12H2,1-2H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem Lett 20: 1100-5 (2010) Article DOI: 10.1016/j.bmcl.2009.11.087 BindingDB Entry DOI: 10.7270/Q2Z89CJ6
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