Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50249337'   

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))	BDBM50249337 (CHEMBL4099515) Show SMILES CC(C)c1ccc(Cn2cc(\C=C3/SC(=O)NC3=O)c3ccccc23)cc1 Show InChI InChI=1S/C22H20N2O2S/c1-14(2)16-9-7-15(8-10-16)12-24-13-17(18-5-3-4-6-19(18)24)11-20-21(25)23-22(26)27-20/h3-11,13-14H,12H2,1-2H3,(H,23,25,26)/b20-11-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Punjabi University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) using activated DNA as substrate measured after 60 mins in presence of biotinylated NAD by colorimetric assay				Bioorg Med Chem Lett 27: 2324-2330 (2017) Article DOI: 10.1016/j.bmcl.2017.04.038 BindingDB Entry DOI: 10.7270/Q2736T92
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50249337 (CHEMBL4099515) Show SMILES CC(C)c1ccc(Cn2cc(\C=C3/SC(=O)NC3=O)c3ccccc23)cc1 Show InChI InChI=1S/C22H20N2O2S/c1-14(2)16-9-7-15(8-10-16)12-24-13-17(18-5-3-4-6-19(18)24)11-20-21(25)23-22(26)27-20/h3-11,13-14H,12H2,1-2H3,(H,23,25,26)/b20-11-	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) using Strep-HRP as substrate preincubated for 60 mins followed by compound wash and substrate addition and measu...				Eur J Med Chem 165: 198-215 (2019) Article DOI: 10.1016/j.ejmech.2019.01.024 BindingDB Entry DOI: 10.7270/Q2Z03CPZ
					More data for this Ligand-Target Pair