Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50445969'   

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))	BDBM50445969 (CHEMBL3105876) Show SMILES NC(=O)n1ccc2ccc(nc12)-c1ccccc1 Show InChI InChI=1S/C14H11N3O/c15-14(18)17-9-8-11-6-7-12(16-13(11)17)10-4-2-1-3-5-10/h1-9H,(H2,15,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay				Bioorg Med Chem 22: 1089-103 (2014) Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4
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