Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50306207'   

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))	BDBM50306207 (2-(4-(2-(piperidin-1-yl)ethylcarbamoyl)phenyl)-2H-...) Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C22H25N5O2/c23-21(28)19-6-4-5-17-15-27(25-20(17)19)18-9-7-16(8-10-18)22(29)24-11-14-26-12-2-1-3-13-26/h4-10,15H,1-3,11-14H2,(H2,23,28)(H,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-Merck Research Laboratories Rome Curated by ChEMBL					Assay Description Inhibition of human PARP1 after 3 hrs using [3H]NAD+ by scintillation proximity assay				Bioorg Med Chem Lett 20: 488-92 (2010) Article DOI: 10.1016/j.bmcl.2009.11.127 BindingDB Entry DOI: 10.7270/Q2W37WFZ
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