Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM332748'   

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))	BDBM332748 (2-(4-(2-cyanopyrimidin-5-yl)piperazin-1-yl)-6-fluo...) Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)N1CCN(CC1)c1cnc(nc1)C#N Show InChI InChI=1S/C17H15FN8O/c18-10-5-12(16(20)27)15-13(6-10)23-17(24-15)26-3-1-25(2-4-26)11-8-21-14(7-19)22-9-11/h5-6,8-9H,1-4H2,(H2,20,27)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
SHANGHAI HUILUN LIFE SCIENCE &TECHNOLOGY CO., LTD US Patent					Assay Description 1. 50 μl of 1×PARP buffer per well was added to infiltrate the histone, and the plate was incubated for 30 min at room temperature. Then the 1×P...				US Patent US10196381 (2019) BindingDB Entry DOI: 10.7270/Q2TT4T17
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