Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120265'   

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))	BDBM50120265 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H21N3O5S/c1-27-13-4-2-12(3-5-13)16(23)10-20-17(24)6-8-22-15-7-9-28-11-14(15)18(25)21-19(22)26/h2-5H,6-11H2,1H3,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				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))	BDBM50120265 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H21N3O5S/c1-27-13-4-2-12(3-5-13)16(23)10-20-17(24)6-8-22-15-7-9-28-11-14(15)18(25)21-19(22)26/h2-5H,6-11H2,1H3,(H,20,24)(H,21,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120265 (3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4...) Show SMILES COc1ccc(cc1)C(=O)CNC(=O)CCn1c2CCSCc2c(=O)[nH]c1=O Show InChI InChI=1S/C19H21N3O5S/c1-27-13-4-2-12(3-5-13)16(23)10-20-17(24)6-8-22-15-7-9-28-11-14(15)18(25)21-19(22)26/h2-5H,6-11H2,1H3,(H,20,24)(H,21,25,26)	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	80	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibitory activity against human recombinant PARP-1				Bioorg Med Chem Lett 12: 3187-90 (2002) BindingDB Entry DOI: 10.7270/Q2VX0FTT
					More data for this Ligand-Target Pair