Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120267'   

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))	BDBM50120267 (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)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(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	20	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))	BDBM50120267 (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)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(H,24,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Johns Hopkins University Brain Science Institute Curated by ChEMBL					Assay Description Inhibition of PARP1				J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50120267 (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)c1ncccn1 Show InChI InChI=1S/C20H25N7O4S/c28-16(2-6-27-15-3-11-32-13-14(15)18(30)24-20(27)31)23-12-17(29)25-7-9-26(10-8-25)19-21-4-1-5-22-19/h1,4-5H,2-3,6-13H2,(H,23,28)(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	100	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