Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50018748'   

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))	BDBM50018748 (CHEMBL3291319) Show SMILES CN1CCCN(CC1)C(=O)c1cc2[nH]c(=O)c3ccccc3c2n1C Show InChI InChI=1S/C19H22N4O2/c1-21-8-5-9-23(11-10-21)19(25)16-12-15-17(22(16)2)13-6-3-4-7-14(13)18(24)20-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP-1 after 1 hr by ELISA				Bioorg Med Chem Lett 24: 2669-73 (2014) Article DOI: 10.1016/j.bmcl.2014.04.061 BindingDB Entry DOI: 10.7270/Q2ZC84FM
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