Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1' and Ligand = 'BDBM50082111'   

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 tankyrase-1 (Homo sapiens (Human))	BDBM50082111 (CHEMBL3422630) Show SMILES COCC(=O)N1CCN(CC1)C(=O)[C@H]1CC[C@H](Cn2c(=O)n(C)c3ccc(OC)cc3c2=O)CC1 |r,wU:16.17,wD:13.13,(-16.01,5.07,;-16.01,3.84,;-14.68,3.07,;-14.68,1.53,;-15.75,.91,;-13.35,.75,;-13.35,-.79,;-12.02,-1.56,;-10.68,-.79,;-10.68,.75,;-12.02,1.52,;-9.35,-1.56,;-9.34,-2.79,;-8.01,-.78,;-6.68,-1.55,;-5.34,-.78,;-5.35,.76,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-3.75,-1.39,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;4,1.54,;5.06,.92,;1.33,1.54,;,.77,;-1.33,1.54,;-1.33,2.77,;-6.69,1.53,;-8.02,.76,)| Show InChI InChI=1S/C25H34N4O6/c1-26-21-9-8-19(35-3)14-20(21)24(32)29(25(26)33)15-17-4-6-18(7-5-17)23(31)28-12-10-27(11-13-28)22(30)16-34-2/h8-9,14,17-18H,4-7,10-13,15-16H2,1-3H3/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sienabiotech S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged Tankyrases 1 (unknown origin) by autoPARsylationassay				Eur J Med Chem 95: 526-45 (2015) Article DOI: 10.1016/j.ejmech.2015.03.055 BindingDB Entry DOI: 10.7270/Q28W3G1F
					More data for this Ligand-Target Pair