Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM213899'   

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))	BDBM213899 (BDBM214226 | US9283222, Table 3, Compound 6) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C26H26FN3O4/c1-34-18-9-7-17(8-10-18)24(31)12-13-25(32)28-23-15-16(6-11-21(23)27)14-22-19-4-2-3-5-20(19)26(33)30-29-22/h6-11,15H,2-5,12-14H2,1H3,(H,28,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM213899 (BDBM214226 | US9283222, Table 3, Compound 6) Show SMILES COc1ccc(cc1)C(=O)CCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCCc23)ccc1F Show InChI InChI=1S/C26H26FN3O4/c1-34-18-9-7-17(8-10-18)24(31)12-13-25(32)28-23-15-16(6-11-21(23)27)14-22-19-4-2-3-5-20(19)26(33)30-29-22/h6-11,15H,2-5,12-14H2,1H3,(H,28,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	8.0	n/a
AbbVie Inc. US Patent					Assay Description PARP1 assay was conducted in PARP assay buffer containing 50 mM Tris pH 8.0, 1 mM DTT, 4 mM MgCl2. PARP reactions contained 1.5 uM [3H]-NAD+ (1.6 uCi...				US Patent US9283222 (2016) BindingDB Entry DOI: 10.7270/Q2BZ64XD
					More data for this Ligand-Target Pair