Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50177462'   

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))	BDBM50177462 (4-(3-(1-ethyl-1,4-diazepane-4-carbonyl)-4-fluorobe...) Show SMILES CCN1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F Show InChI InChI=1S/C23H25FN4O2/c1-2-27-10-5-11-28(13-12-27)23(30)19-14-16(8-9-20(19)24)15-21-17-6-3-4-7-18(17)22(29)26-25-21/h3-4,6-9,14H,2,5,10-13,15H2,1H3,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
KuDOS Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Inhibitory activity against PARP1				Bioorg Med Chem Lett 16: 1040-4 (2006) Article DOI: 10.1016/j.bmcl.2005.10.081 BindingDB Entry DOI: 10.7270/Q25T3K12
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