Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50104286'   

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))	BDBM50104286 (CHEMBL3593715) Show SMILES O=c1[nH]c(nc2CCCCc12)N1CCN(Cc2ccncc2)CC1 Show InChI InChI=1S/C18H23N5O/c24-17-15-3-1-2-4-16(15)20-18(21-17)23-11-9-22(10-12-23)13-14-5-7-19-8-6-14/h5-8H,1-4,9-13H2,(H,20,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oulu Curated by ChEMBL					Assay Description Inhibition of full-length human ARTD1 using 500 nM NAD substrate after 1 hr incubation				Bioorg Med Chem 23: 4139-49 (2015) Article DOI: 10.1016/j.bmc.2015.06.063 BindingDB Entry DOI: 10.7270/Q2W66NJ2
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