Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120266'   

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))	BDBM50120266 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncncn1 Show InChI InChI=1S/C19H24N8O4S/c28-15(1-3-27-14-2-8-32-10-13(14)17(30)24-19(27)31)21-9-16(29)25-4-6-26(7-5-25)18-22-11-20-12-23-18/h11-12H,1-10H2,(H,21,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120266 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES O=C(CCn1c2CCSCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncncn1 Show InChI InChI=1S/C19H24N8O4S/c28-15(1-3-27-14-2-8-32-10-13(14)17(30)24-19(27)31)21-9-16(29)25-4-6-26(7-5-25)18-22-11-20-12-23-18/h11-12H,1-10H2,(H,21,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Concentration required to inhibit human recombinant PARP-1 was determined using cell protection assay				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair