Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM419731'   

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))	BDBM419731 (US10464919, Example 69) Show SMILES Fc1cc(ccc1N1CCN(Cc2ccc3c4NCCCc4c(=O)[nH]c3c2)CC1)C(=O)NC1CC1 Show InChI InChI=1S/C27H30FN5O2/c28-22-15-18(26(34)30-19-5-6-19)4-8-24(22)33-12-10-32(11-13-33)16-17-3-7-20-23(14-17)31-27(35)21-2-1-9-29-25(20)21/h3-4,7-8,14-15,19,29H,1-2,5-6,9-13,16H2,(H,30,34)(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.04	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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