Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM419812'   

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))	BDBM419812 (US10464919, Example 150) Show SMILES O=c1[nH]c2cc(CN3CCN(CC3)c3ccc4cc[nH]c4c3)ccc2c2NCCCc12 Show InChI InChI=1S/C25H27N5O/c31-25-21-2-1-8-27-24(21)20-6-3-17(14-23(20)28-25)16-29-10-12-30(13-11-29)19-5-4-18-7-9-26-22(18)15-19/h3-7,9,14-15,26-27H,1-2,8,10-13,16H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.49	n/a	n/a	n/a	n/a	n/a	n/a
Je Il Pharmaceutical Co., Ltd. US Patent					Assay Description The PARP-1 enzyme inhibitory activities of the compounds of the present invention were assayed in the following manner by use of a kit (cat. 80551) p...				US Patent US10464919 (2019) BindingDB Entry DOI: 10.7270/Q2736T8M
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