Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM421528'   

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))	BDBM421528 (US10508086, Example 118 | US10995073, Example 118) Show SMILES Cc1cc(Cc2nc3ccc(cc3n2-c2nnc(C)s2)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C19H20N6O3S2/c1-11-8-13(28-23-11)9-17-20-15-5-4-14(30(26,27)24-19(3)6-7-19)10-16(15)25(17)18-22-21-12(2)29-18/h4-5,8,10,24H,6-7,9H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...				US Patent US10995073 (2021) BindingDB Entry DOI: 10.7270/Q28K7D68
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM421528 (US10508086, Example 118 | US10995073, Example 118) Show SMILES Cc1cc(Cc2nc3ccc(cc3n2-c2nnc(C)s2)S(=O)(=O)NC2(C)CC2)on1 Show InChI InChI=1S/C19H20N6O3S2/c1-11-8-13(28-23-11)9-17-20-15-5-4-14(30(26,27)24-19(3)6-7-19)10-16(15)25(17)18-22-21-12(2)29-18/h4-5,8,10,24H,6-7,9H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description PARP1 In vitro selectivity assays were conducted as a 10 ul reaction volume in a NUNC Maxisorp 384-well assay plate pre-coated in-house with Histones...				US Patent US10508086 (2019) BindingDB Entry DOI: 10.7270/Q26112QF
					More data for this Ligand-Target Pair