Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120259'   

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))	BDBM50120259 (3-(2,4-Dioxo-2,3,4,5,8,9-hexahydro-cycloheptapyrim...) Show SMILES O=C(CCn1c2CCC=CCc2c(=O)[nH]c1=O)NCC(=O)N1CCN(CC1)c1ncccn1 |c:8| Show InChI InChI=1S/C22H27N7O4/c30-18(7-10-29-17-6-3-1-2-5-16(17)20(32)26-22(29)33)25-15-19(31)27-11-13-28(14-12-27)21-23-8-4-9-24-21/h1-2,4,8-9H,3,5-7,10-15H2,(H,25,30)(H,26,32,33)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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
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