Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM421555'   

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))	BDBM421555 (3-(Cyclopropanecarbonyl)-1-[5-(difluoromethyl)-1,3...) Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2c(cn(-c3nnc(s3)C(F)F)c2c1)C(=O)C1CC1 Show InChI InChI=1S/C19H18F2N4O3S2/c1-19(6-7-19)24-30(27,28)11-4-5-12-13(15(26)10-2-3-10)9-25(14(12)8-11)18-23-22-17(29-18)16(20)21/h4-5,8-10,16,24H,2-3,6-7H2,1H3	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))	BDBM421555 (3-(Cyclopropanecarbonyl)-1-[5-(difluoromethyl)-1,3...) Show SMILES CC1(CC1)NS(=O)(=O)c1ccc2c(cn(-c3nnc(s3)C(F)F)c2c1)C(=O)C1CC1 Show InChI InChI=1S/C19H18F2N4O3S2/c1-19(6-7-19)24-30(27,28)11-4-5-12-13(15(26)10-2-3-10)9-25(14(12)8-11)18-23-22-17(29-18)16(20)21/h4-5,8-10,16,24H,2-3,6-7H2,1H3	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