Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50079616'   

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))	BDBM50079616 (CHEMBL3414766) Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50079616 (CHEMBL3414766) Show SMILES CC(C)(CC(=O)Nc1cccc(c1)C(N)=O)C(O)=O Show InChI InChI=1S/C13H16N2O4/c1-13(2,12(18)19)7-10(16)15-9-5-3-4-8(6-9)11(14)17/h3-6H,7H2,1-2H3,(H2,14,17)(H,15,16)(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair