Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50096208'   

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))	BDBM50096208 (CHEMBL3593982) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(nc1)C(=O)N1CCCC1 Show InChI InChI=1S/C34H49N5O6/c1-5-22(2)31-30(41)21-38-18-12-11-17-29(38)34(44)35-26(15-8-6-7-13-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-16-10-9-14-25(24)28/h9-10,14,16,20,22,26-27,29,31H,5-8,11-13,15,17-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,26-,27-,29+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...				Bioorg Med Chem 23: 4669-80 (2015) Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K
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