Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50130578'   

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))	BDBM50130578 (2-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-5H-benzo[c][...) Show SMILES O=c1[nH]c2ccc(nc2c2ccccc12)N1C[C@H]2C[C@@H]1CN2 Show InChI InChI=1S/C17H16N4O/c22-17-13-4-2-1-3-12(13)16-14(19-17)5-6-15(20-16)21-9-10-7-11(21)8-18-10/h1-6,10-11,18H,7-9H2,(H,19,22)/t10-,11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibitory activity against Poly (ADP-ribose) polymerase 1				J Med Chem 46: 3138-51 (2003) Article DOI: 10.1021/jm030109s BindingDB Entry DOI: 10.7270/Q2Z89D5P
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