Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50251580'   

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))	BDBM50251580 (2-(4-(cyclopentylamino)butan-2-yl)-1H-benzo[d]imid...) Show SMILES CC(CCNC1CCCC1)c1nc2cccc(C(N)=O)c2[nH]1 Show InChI InChI=1S/C17H24N4O/c1-11(9-10-19-12-5-2-3-6-12)17-20-14-8-4-7-13(16(18)22)15(14)21-17/h4,7-8,11-12,19H,2-3,5-6,9-10H2,1H3,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin)				Bioorg Med Chem Lett 18: 3955-8 (2008) Article DOI: 10.1016/j.bmcl.2008.06.023 BindingDB Entry DOI: 10.7270/Q24F1QJK
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