Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM421497'   

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))	BDBM421497 (US10508086, Example 87 | US10995073, Example 87) Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2sc(C)nc2C)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C20H22N6O3S3/c1-11-17(30-12(2)21-11)10-25-15-6-5-14(32(28,29)24-20(4)7-8-20)9-16(15)26(19(25)27)18-23-22-13(3)31-18/h5-6,9,24H,7-8,10H2,1-4H3	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))	BDBM421497 (US10508086, Example 87 | US10995073, Example 87) Show SMILES Cc1nnc(s1)-n1c2cc(ccc2n(Cc2sc(C)nc2C)c1=O)S(=O)(=O)NC1(C)CC1 Show InChI InChI=1S/C20H22N6O3S3/c1-11-17(30-12(2)21-11)10-25-15-6-5-14(32(28,29)24-20(4)7-8-20)9-16(15)26(19(25)27)18-23-22-13(3)31-18/h5-6,9,24H,7-8,10H2,1-4H3	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