Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50177446'   

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))	BDBM50177446 (4-(3-(1-(cyclopropylmethyl)-1,4-diazepane-4-carbon...) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCN(CC2CC2)CC1 Show InChI InChI=1S/C25H27FN4O2/c26-22-9-8-18(15-23-19-4-1-2-5-20(19)24(31)28-27-23)14-21(22)25(32)30-11-3-10-29(12-13-30)16-17-6-7-17/h1-2,4-5,8-9,14,17H,3,6-7,10-13,15-16H2,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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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