Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM421493'   

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))	BDBM421493 (US10508086, Example 83 | US10995073, Example 83) Show SMILES Cc1ncc(Cn2c3ccc(cc3n(-c3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3	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))	BDBM421493 (US10508086, Example 83 | US10995073, Example 83) Show SMILES Cc1ncc(Cn2c3ccc(cc3n(-c3nnc(C)s3)c2=O)S(=O)(=O)NC2(C)CC2)s1 Show InChI InChI=1S/C19H20N6O3S3/c1-11-20-9-13(29-11)10-24-15-5-4-14(31(27,28)23-19(3)6-7-19)8-16(15)25(18(24)26)17-22-21-12(2)30-17/h4-5,8-9,23H,6-7,10H2,1-3H3	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