Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27681'   

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))	BDBM27681 (5-fluoro-2-[(4-fluoro-3-{[4-(2-phenoxypropanoyl)pi...) Show SMILES CC(Oc1ccccc1)C(=O)N1CCN(CC1)C(=O)c1cc(COc2ccc(F)cc2C(N)=O)ccc1F Show InChI InChI=1S/C28H27F2N3O5/c1-18(38-21-5-3-2-4-6-21)27(35)32-11-13-33(14-12-32)28(36)22-15-19(7-9-24(22)30)17-37-25-10-8-20(29)16-23(25)26(31)34/h2-10,15-16,18H,11-14,17H2,1H3,(H2,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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...				Bioorg Med Chem Lett 18: 3942-5 (2008) Article DOI: 10.1016/j.bmcl.2008.06.025 BindingDB Entry DOI: 10.7270/Q2FF3QPX
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