Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50120245'   

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))	BDBM50120245 (3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1...) Show SMILES O=C(CCn1c2CCCCc2c(=O)[nH]c1=O)NCC(=O)c1ccccc1 Show InChI InChI=1S/C19H21N3O4/c23-16(13-6-2-1-3-7-13)12-20-17(24)10-11-22-15-9-5-4-8-14(15)18(25)21-19(22)26/h1-3,6-7H,4-5,8-12H2,(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	450	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