Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27550'   

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))	BDBM27550 (4-[(3-{[4-(morpholin-4-ylcarbonyl)piperazin-1-yl]c...) Show SMILES O=C(N1CCOCC1)N1CCN(CC1)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C25H27N5O4/c31-23-21-7-2-1-6-20(21)22(26-27-23)17-18-4-3-5-19(16-18)24(32)28-8-10-29(11-9-28)25(33)30-12-14-34-15-13-30/h1-7,16H,8-15,17H2,(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
KuDOS Pharmaceuticals Ltd.					Assay Description A FlashPlate scintillation proximity assay has been developed to identify inhibitors of PARP-1. The mechanism of action of the assay requires the bin...				J Med Chem 51: 6581-91 (2008) Article DOI: 10.1021/jm8001263 BindingDB Entry DOI: 10.7270/Q2BP014T
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