Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM419797'   

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))	BDBM419797 (US10464919, Example 135) Show SMILES Clc1cc(ncc1C#N)N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-11-21(27-13-16(19)12-25)30-8-6-29(7-9-30)14-15-3-4-17-20(10-15)28-23(31)18-2-1-5-26-22(17)18/h3-4,10-11,13,26H,1-2,5-9,14H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.66	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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